HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzaldehyde
Benzaldehyd · BENZYL ALDEHYDE · BENZOIC ALDEHYDE · phenylmethanal · FEMA 2127 · Benzyaldehyde · BALD · Benaldehyde
Identifiers & Physical Properties
| CAS No. | 100-52-7 |
|---|---|
| Molecular formula | C7H6O |
| Average molar mass | 106.12 g/mol |
| Monoisotopic mass | 106.04186481 g/mol |
| SMILES | O=Cc1ccccc1 |
| InChIKey | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| PubChem CID | 240 |
| ChEMBL | CHEMBL15972 |
| ChEBI | CHEBI:17169 |
| EC No. | 202-860-4 |
| DTXSID | DTXSID8039241 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 72.5 |
| Chemical classes | Other Classes -> BenzaldehydesFlammable agents - 2nd degree |
| Cosmetics | Cosmetics ingredient -> FlavorFragranceCosmetic ingredients (Benzaldehyde) -> CIR (Cosmetic Ingredient Review)Solvent |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Fragrances | Fragrance Ingredient (Benzaldehyde) -> IFRA transparency List |
| Pesticides | Pesticide -> EPA IRIS |
| LogP (partition coefficient) | log Kow = 1.48 |
| Odor | Characteristic odor or volatile oil of almondOdor resembling oil of bitter almondLike almonds. |
| Taste | Burning aromatic tasteSimilar to bitter almond |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 1.046 at 68 °F (USCG, 1999) - Denser than waterwill sink1.050 at 15 °C/4 °CRelative density (water = 1): 1.051.040-1.0471.041 @25 °C1.044 g/cm3 at 20 °C (lit.) |
| Flavoring agents | EU Flavoring substances |
| Viscosity | 1.321 cp at 25 °C |
| Melting point | -26 °C (lit.) |
| Boiling point | 178-179 °C (lit.) |
| Vapor density | 3.7 (vs air) |
| Vapor pressure | 4 mm Hg ( 45 °C) |
| Refractive index | n20/D 1.545(lit.) |
| FEMA | 2127 | BENZALDEHYDE |
| FLAVIS Number | 05.013 | Benzaldehyde |
| Flash point | 145 °F |
| Storage conditions | Store below +30°C. |
| Solubility | H2O: soluble100mg/mL<0.01 g/100 mL at 19.5 ºC |
| pKa (acidity coefficient) | 14.90(at 25℃) |
| Physical state | liquid |
| Color | Pale yellow |
| PH Range | 5.9 |
| pH | 5.9 (1g/l, H2O) |
| Explosive limits | 1.4-8.5%(V) |
| Biological source | synthetic |
| Odor type | fruity |
| Freezing point | -56℃ |
| Specific heat capacity | Cp(liquid): 1.62 J/(g·K), at 25℃ |
| Thermal conductivity | 0.153 W/(m·K) at 25 ℃ |
| Sensitivity | Air Sensitive |
| Merck | 14,1058 |
| JECFA Number | 22 |
| BRN | 471223 |
| Henry's law constant | 4.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielectric constant | 17.8(20℃) |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids, reducing agents, steam. Air, light and moisture-sensitive. |
| Cosmetics Ingredients Functions | FRAGRANCEDENATURANTPERFUMINGFLAVOURING |
| Cosmetic Ingredient Review (CIR) | Benzaldehyde (100-52-7) |
| InChI | 1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| InChIKey | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| SMILES | O=Cc1ccccc1 |
| LogP (partition coefficient) | 1.4 at 25℃ |
| Toxicology and Carcinogenesis | Toxicology and Carcinogenesis Studies of Benzaldehyde (CASRN 100-52-7) in F344/N Rats and B6C3F1 Mice (Gavage Studies) |
| Substances Added to Food (formerly EAFUS) | BENZALDEHYDE |
| CAS DataBase Reference | 100-52-7(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| NCI Dictionary of Cancer Terms | benzaldehyde |
| FDA UNII | TA269SD04T |
| NIST Chemistry Reference | Benzaldehyde(100-52-7) |
| EPA Substance Registry System | Benzaldehyde (100-52-7) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| CAS Number Unlabeled | 100-52-7 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302+H332-H315-H319-H335-H412 |
| GHS precautionary statements | P261-P273-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Safety statements (S) | 24 |
| UN transport number | UN 1990 |
| Water hazard class (WGK) | 1 |
| RTECS number | CU4375000 |
| F | 8 |
| Autoignition temperature | 374 °F |
| TSCA inventory status | TSCA listed |
| Customs code | 2912 21 00 |
| Hazard class | 9Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT SE 3 |
| Packing group | III |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Hazardous substances data | 100-52-7(Hazardous Substances Data) |
| Toxicity | LD50 in rats, guinea pigs (mg/kg): 1300, 1000 orally (Jenner) |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P317, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatory information | Chemical: BenzaldehydeHazard Traits - Fragrance AllergenList I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzaldehyde is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzaldehyde are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 29-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15940 |
| Other safety information | IMAP assessments - Benzaldehyde: Human health tier II assessment |
| DOT label | Class 9 |
| Fire hazards | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:· Some may burn but none ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 63 °C explosive vapour/air mixtures may be formed. |
| Fire potential | Combustible liquid. |
| Health hazards | Inhalation of concentrated vapor may irritate eyes, nose and throat. Liquid is irritating to the eyes. Prolonged contact with the skin may cause irritation. (USCG, 1999)· Inhalation of material may be harmful. |
| Hazards summary | An eye irritant[ICSC] At a concentration of 2 ppm, there is a strong penetrating odor without marked irritation[AIHA] Included in list of established contact allergens in humans[EC: Scientific Committee on Consumer Safety: Fragrance allergens in cosmetic products (2011)] Benzaldehyde can cause contact urticaria. [Kanerva, p. 221] |
| DOT ID and guide | 1990 171 |
| FDA requirements | Synthetic flavoring substances and adjuvants /for human consumption/ that are generally recognized as safe for their intended use, withn the meaning of section 409 of the Act. Benzaldehyde is included on this list.Synthetic flavoring substances and adjuvants /for animal drugs, feeds, and related products/ that are generally recognized as safe for their intended use, within the meaning of section 409 of the Act. Benzaldehyde is included on this list. |
| Reactive group | Aldehydes |
| EC classification | Symbol: XnR: 22S: (2)-24 |
| UN classification | UN Hazard Class: 9UN Pack Group: III |
| Fire fighting | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Use water spray, foam, powder, carbon dioxide. |
| First aid measures | Fresh air, rest.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Rest. |
| Accidental release measures | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Do not touch or walk through spilled material. |
| First aid | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.General First Aid: |
| Safe storage | Separated from incompatible materials. See Chemical Dangers. Well closed. Ventilation along the floor. Cool. Store in an area without drain or sewer access. Keep in the dark. |
| Firefighting Hazards | Under fire conditions, material may decompose to form flammable and/or explosive mixtures in air. Use water spray to cool unopened containers.Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Vapors in confined areas may explode when exposed to fire. Storage containers and parts of containers may rocket great distances, in many directions. |
| Exposure control and personal protection | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Fire fighting procedures | Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.To fight fire, use water (may be used as a blanket), alcohol, foam, dry chemical.If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position.For more Fire Fighting Procedures (Complete) data for BENZALDEHYDE (6 total), please visit the HSDB record page. |
| Storage conditions | Store under nitrogen. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Air, light, and moisture sensitive.Store in cool, dry, dark, well ventilated location. Separate from oxidizing materials, reducing agents, alkalies.Store in a flammable liquid storage area or approved cabinet away from ignition sources and corrosive and reactive materials. Store under nitrogen in an area away from steam or water ... . Keep away from strong acids and oxidizers.Keep tightly closed and protected form light. |
| Cleanup methods | ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations. Keep in suitable, closed containers for disposal.Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Ventilate area of spill or leak. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area of spill or leak after cleanup is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters.Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors and protect personnel. Absorb in noncombustible material for proper disposal.Environmental considerations - land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.For more Cleanup Methods (Complete) data for BENZALDEHYDE (6 total), please visit the HSDB record page. |
| Nonfire spill response | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Disposal methods | SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.Product: This combustible material may be burned in a chemical incinerator equipped with an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging: Dispose of as unused product.Incinerationadd combustible solvent and spray into incinerator with afterburner. |
| Body burden | Benzaldehyde was qualitatively detected in 8 of 12 samples of human milk collected from volunteers in Bayonne, NJ, Jersey City, NJ, Bridgeville, PA, and Baton Rouge, LA(1). Benzaldehyde was identified in the purge of a sample of human breast milk(2). |
| Interactions | Infusion of the test substance to perfused rat liver leads to an increase in hepatic ethane production. The extra ethane release upon addition of the test substance was diminished by cyanamide, pargyline is able to depress the test substance-induced ethane evolution.In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exposure scenarios include a fullerene dust and organic chemical vapor, or a fullerene solution aerosolized in workplace air. Unfiltered and filtered mixtures of C60 and organic chemicals represent different co-exposure scenarios in in vitro studies where acute cytotoxicity and immunotoxicity of C60 and organic chemicals are tested together and alone by using human THP-1-derived macrophages. Statistically significant co-effects are observed for an unfiltered mixture of benzaldehyde and C60 that is more cytotoxic than benzaldehyde alone, and for a filtered mixture of m-cresol and C60 that is slightly less cytotoxic than m-cresol. Hydrophobicity of chemicals correlates with co-effects when secretion of pro-inflammatory cytokines IL-1beta and TNF-alpha is considered. Complementary atomistic molecular dynamics simulations reveal that C60 co-aggregates with all chemicals in aqueous environment. Stable aggregates have a fullerene-rich core and a chemical-rich surface layer, and while essentially all C60 molecules aggregate together, a portion of organic molecules remains in water. |
| Target organs | GastrointestinalRespiratory system |
| Ecotoxicity values | LC50Species: Pimephales promelas (Fathead minnow)Concentration: 35 mg/L for 24 hr /Conditions of bioassay not specified in source examined/Concentration: 7.6 mg/L for 96 hr /Conditions of bioassay not specified in source examined/Species: Daphnia magna (Water flea)Concentration: 50 mg/L for 24 hr /Conditions of bioassay not specified in source examined/Species: Poecilia reticulata (Guppy)Concentration: 1.57 umol/L for 14 day /Conditions of bioassay not specified in source examined/For more Ecotoxicity Values (Complete) data for BENZALDEHYDE (22 total), please visit the HSDB record page. |
| Environmental fate | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 11(SRC), determined from a structure estimation method(2), indicates that benzaldehyde is expected to have very high mobility in soil(SRC). Volatilization of benzaldehyde from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 2.67X10-5 atm-cu m/mole(3). Benzaldehyde is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27 mm Hg at 25 °C(4). A 66% of theoretical BOD using activated sludge in a 2-week Japanese MITI test(5) suggests that biodegradation is an important environmental fate process in soil(SRC). Other biological screening studies have also demonstrated that benzaldehyde is readily biodegradable(6-8).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 11(SRC), determined from a structure estimation method(2), indicates that benzaldehyde is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 2.67X10-5 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.5 and 14 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 4.4(SRC), from its log Kow of 1.48(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low. A 66% of theoretical BOD using activated sludge in a 2-week Japanese MITI test(7) suggests that biodegradation is an important environmental fate process in water(SRC). Other biological screening studies have also demonstrated that benzaldehyde is readily biodegradable(8-10). Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions(3).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzaldehyde, which has a vapor pressure of 1.27 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase benzaldehyde is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 30 hours(SRC), calculated from its rate constant of 1.29X10-11 cu cm/molecule-sec at 25 °C(3). Vapor-phase benzaldehyde is also degraded in the atmosphere by reaction with nitrate radicals(SRC)the half-life for this reaction in air is estimated to be 7.5 days(SRC), calculated from its rate constant of 4.30X10-15 cu cm/molecule-sec at 25 °C(4). The atmospheric reaction between benzaldehyde and ozone is too slow to be important environmentally(5). Benzaldehyde absorbs UV radiation between 300 and 380 nm in the gas-phase(6,7) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). Small quantities of benzaldehyde have been detected in atmospheric aerosol particulates(8,9) which can be physically removed from air via dry and wet deposition. Benzaldehyde's detection in rain, snow, fog, and cloud water(10,11) indicates that wet deposition has some environmental importance(SRC). It has been shown that benzaldehyde vapor in air can adsorb to snow(12). |
| Food survey values | Benzaldehyde has been qualitatively detected as a volatile constituent of baked potatoes(1), cassava products(2), mountain cheese(3), nectarines(4), fried bacon(5), roasted filbert nuts(6), dried legumes(7), peaches(8), clove oil(9), chickpeas(10), cooked beef(11), and fried chicken(12). Benzaldehyde is used directly as a flavoring agent in foods in quantities of approximately 0.4 million lb/yr(13).Benzaldehyde was found in the volatiles of sweet corn productsconcentrations ranged from 4 ppb for fresh kernels to 16 ppb for canned creamed corn(1). Benzaldehyde was identified in the flavor and aroma volatiles isolated from microwave oven-produced popcorn at a concentrations of 0.020 mg/kg popcorn(2). Benzaldehyde was identified in the volatile compounds in two commercial rice cakes at concentrations of 0.13 and 0.2 mg/kg of rice cake(3). Benzaldehyde was detected in the volatile components of three fermented soybean curds at concentrations ranged from 0.3064-0.451 mg/kg(4). Benzaldehyde was identified in paprika oleoresin (Spanish type) at a concentration of 1.3 mg/kg(5). Benzaldehyde was detected in the volatile components of strawberry jam at a concentration of 32.6 mg/kg of jam(6). Benzaldehyde was detected in the aroma concentrates of uncured beef, cured chicken, uncured pork, and cured pork at 0.20, 0.12, 0.11, and 0.04 mg/kg, respectivelyit was not detected in aroma concentrates of cured beef or uncured chicken(7). Benzaldehyde was identified as a volatile component of raw beef(8), full-fat and reduced-fat frankfurters(9), peanut oil heated to 200 °C(10), Bisbee Delicious apples(11), whole and ground grain(12), and red wines(13). Benzaldehyde was detected at concentrations of 154.9 and 11.1 ug/kg in the skin and pulp of Queen Anne's Pocket Melon (Cucumis melo var. dudaim(L.) Naudin) respectively(14). |
| Adverse effects | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Exposure routes | The substance can be absorbed into the body by inhalation of its vapour, through the skin and by ingestion. |
| Milk Concentrations | Benzaldehyde was qualitatively detected in 8 of 12 samples of human milk collected from volunteers in Bayonne, NJ, Jersey City, NJ, Bridgeville, PA, and Baton Rouge, LA(1). Benzaldehyde was identified in the purge of a sample of human breast milk(2). |
| Toxicity summary | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.orgIDENTIFICATION AND USE: Benzaldehyde is a strongly refractive liquid, becoming yellowish on keeping. It is used in cosmetics as a denaturant, a flavoring agent, and as a fragrance. Currently used in only seven cosmetic products, its highest reported concentration of use was 0.5% in perfumes. Substantial amounts are used in the production of derivatives that are also employed in the perfume and flavor industries. In the pharmaceutical industry benzaldehyde is used as an intermediate in the manufacture of chloramphenicol, ephedrine, ampicillin, diphenylhydantoin, and other products. HUMAN EXPOSURE AND TOXICITY: It may cause contact dermatitis. It was positive in sister chromatid exchange assay with human lymphocytes from healthy non-smoking donors. Benzaldehyde was found to induce formation of stable DNA-protein cross-links in cultured human lymphoma cells. Benzaldehyde was found to lack significant activity against most human tumor cells tested. ANIMAL STUDIES: It was was slightly irritating to the rabbit eye. Histological examination of the trachea and lungs showed a slight irritation of respiratory epithelium for nonsensitized guinea pigs. In the acute studies, benzaldehyde induced deaths and decreased body-weight gain in both sexes of rats given 800 or 1600 mg/kg/day and caused deaths in both sexes of mice given 1600 or 3200 mg/kg/day. In the 90-day studies, deaths occurred in both sexes of rats on 800 mg/kg/day and in male mice on 1200 mg/kg/day. Body-weight gain was depressed in male rats on 800 mg/kg/day, in male mice on 600 mg/kg/day and in female mice on 1200 mg/kg/day. Necrotic and degenerative lesions were seen in the cerebellar and hippocampal regions of the brain in both sexes of rats given 800 mg/kg/day, but not in mice. Renal tubular necrosis occurred in male and female rats on 800 mg/kg/day and in male mice on 1200 mg/kg/day. Mild epithelial hyperplasia or hyperkeratosis of the forestomach was seen in male and female rats on 800 mg/kg/day. In an inhalation study performed with rats, it was found that the principal histopathological change was the development of goblet cell metaplasia in the respiratory epithelium lining of the nasal septum. In 2 year studies, there was no evidence of carcinogenic activity of benzaldehyde for male or female rats receiving 200 or 400 mg/kg per day. There was some evidence of carcinogenic activity of benzaldehyde for male or female mice, as indicated by increased incidences of squamous cell papillomas and hyperplasia of the forestomach. Benzaldehyde was studied for mutagenicity using Salmonella typhimurium tester strains TA100, TA102 and TA104, with or without metabolic activation. It was non-mutagenic under all test conditions with dose ranges from 33 to 3333 ug/plate. No induction of chromosomal aberrations was observed in CHO cells treated with up to 500 ug/mL benzaldehyde without metabolic activation or with up to 1600 ug/mL with metabolic activation. |
| Average Daily Intake | Individual: 0.3403 mg/kg/day(1). |
| Plant Concentrations | Benzaldehyde occurs naturally as a volatile plant product(1,2). Benzaldehyde has been found to occur naturally in various fruits such as peaches, black currants, strawberries, grapes, and raspberries(3). Benzaldehyde was identified in branch enclosure experiments from 66 vegetation species sampled at three US sites(4). Benzaldehyde has been reported to occur in several essential oils: hyacynth, citronella, orris, cinnamon, sassafras, labdanum, and patschoulli(5).Benzaldehyde has been listed as a component in 134 plants. The top 15 are as follows(1):[Table#1163] |
| TSCA requirements | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date: 9/30/91Reporting date: 11/27/91.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Benzaldehyde is included on this list. Effective date: 9/30/91Sunset date: 6/30/98. |
| FIFRA requirements | As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their continued use. Under this pesticide reregistration program, EPA examines newer health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether the use of the pesticide does not pose unreasonable risk in accordance to newer safety standards, such as those described in the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA '88 were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern than those on List C, and with List C containing pesticides of greater concern than those on List D. Benzaldehyde is found on List C. Case No: 3025Pesticide type: InsecticideCase Status: No products containing the pesticide are actively registered ... The case /is characterized/ as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.Active ingredient (AI): BenzaldehydeAI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled." |
| Atmospheric standards | This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Benzaldehyde is produced, as an intermediate or a final product, by process units covered under this subpart. |
| State drinking water guidelines | (FL) FLORIDA 700 ug/L |
| F | 8 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 1 |
| TSCA inventory status | TSCA listed |
| RTECS number | CU4375000 |
| UN transport number | UN 1990 |
| Customs code | 2912 21 00 |
| Toxicity | LD50 in rats, guinea pigs (mg/kg): 1300, 1000 orally (Jenner) |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 24 |
| Hazard class | 9Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT SE 3 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| GHS hazard statements | H302+H332-H315-H319-H335-H412 |
| REACH registrations | Active |
| Autoignition temperature | 374 °F |
| GHS precautionary statements | P261-P273-P301+P312-P302+P352-P304+P340+P312-P305+P351+P338 |
| Hazardous substances data | 100-52-7(Hazardous Substances Data) |
Applications & Uses
Uses
1. Benzaldehyde is an important raw material for medicine, dyestuff, perfume and resin industry. It also can be used as solvent, plasticizer and low temperature lubricant. In essence, it is mainly used for the deployment of food flavor. A small amount of benzaldehyde is daily use in flavor and flavor of tobacco. In spite of being widely used as commercial food condiment and industrial solvents, the main use of benzyl alcohol is still used to synthesize a variety of other compounds from pharmaceuticals to plastic additives. Benzyl alcohol is an important intermediate product in the production of perfumes, spices, and some aniline dyes. Mandelic acid was synthesized by benzaldehyde as the starting reagent: With the first hydrocyanic acid reacts with benzaldehyde, then mandelonitrile hydrolyzed to Racemic mandelic acid. Glacialist LaChepelle and Stillman reported Ice crystallization is inhibited by benzaldehyde and aldehydes ice in 1966, so as to prevent the thick frost formation (Depth Hoar). This process can prevent snowslide caused by the instability of the snow cover. However, this compound has not been used extensively, because of the destruction of vegetation and polluted water sources. 2.It is mainly used for the preparation of flavors, such as almond, cherry, peach, nuts, etc., the amount is up to 40%. As aromatizing agent canned cherry syrup, adding amount is sugar 3mL/kg. 3. Pharmaceutical, dyestuff, spice intermediates. For the production of oxygen based benzene formaldehyde, lauric acid, lauric aldehyde, malachite, benzyl benzoate, benzyl aniline and benzylidene acetone etc.. Used to tune the soap flavor, edible essence, etc. 4. As the head of the special aroma, it is used trace formula for fragrance, such as lilac, white, violet, jasmine, acacia, sunflower, sweet plum, orange flower, Tofu pudding etc.. Also it is used in soap. Also it can be used as edible spices for almond, coconut cream, berries, cherries, apricots, peaches, plums, walnuts, and vanilla bean, spicy flavor. Wine with flavors such as rum, brandy, etc. 5. Benzaldehyde is an intermediate of herbicide resistance, plant growth regulator, and anti-amine. 6. Used as a reagent for the determination of ozone, phenol, alkaloid and methylene. Used in the preparation of spices.
Description
Benzaldehyde is a clear to yellowish liquidwith an almond odor. The odor threshold is 0.042 ppm.Molecular weight=106.13; Specific gravity (H2O:1)=1.1;Boiling point=179℃; Freezing/Melting point=2 56℃;Flash point=63℃ (cc); Vapor pressure=0.99 mmHg at20℃; Autoignition temperature=190℃. Explosive limits:LEL=1.4%, UEL=13.5%. Hazard Identification (basedon NFPA-704 M Rating System): Health 2, Flammability 2,Reactivity 1. Practically insoluble in water;solubility=0.3 g/100 mL
Occurrence
Benzaldehyde exists in nature, occurring in combined and uncombined forms in many plants. It is also the main constituent of the essential oils obtained by pressing the kernels of peaches, cherries, apricots, and other fruits. Benzaldehyde is released into the environment in emissions from combustion processes, such as gasoline and diesel engines, incinerators, and wood burning. It is formed in the atmosphere through photochemical oxidation of toluene and other aromatic hydrocarbons.
Uses
Manufacture of dyes, perfumery, cinnamic and mandelic acids, as solvent; in flavors.
Uses
Benzaldehyde is a flavoring agent which is liquid and colorless, and has an almond-like odor. it has a hot (burning) taste. it is oxidized to benzoic acid when exposed to air and deteriorates under light. it is miscible in volatile oils, fixed oils, ether, and alcohol; it is spar- ingly soluble in water. it is obtained by chemical synthesis and by natural occurrence in oils of bitter almond, peach, and apricot kernel. it is also termed benzoic aldehyde.
Uses
Benzaldehyde is used as an intermediatein the production of flavoring chemicals,such as cinnamaldehyde, cinnamalalcohol,and amyl- and hexylcinnamaldehyde for perfume,soap, and food flavor; synthetic penicillin,ampicillin, and ephedrine; and as araw material for the herbicide Avenge. Itoccurs in nature in the seeds of almonds,apricots, cherries, and peaches. It occurs intrace amounts in corn oil.
General Description
Benzaldehyde appears as a clear colorless to yellow liquid with a bitter almond odor. Flash point near 145 °F. More denser than water and insoluble in water. Hence sinks in water. Vapors are heavier than air. The primary hazard is to the environment. Immediate steps should be taken to limit spread to the environment. Easily penetrates the soil to contaminate groundwater and nearby waterways. Used in flavoring and perfume making.
Preparation & Synthesis
Preparation
Benzaldehyde is prepared by hydrolysis of benzal chloride, for example, in acidic media in the presence of a catalyst such as ferric chloride or in alkaline media with aqueous sodium carbonate. Part of the commercially available benzaldehyde originates from a technical process for phenol. In this process, benzaldehyde is a by-product in the oxidation, in air, of toluene to benzoic acid.