HuagongsheHuagongshe Chemistry Print Report · For research reference only
Octanal
ALDEHYDE C-8 · N-OCTANAL · OCTYL ALDEHYDE · 1-OCTANAL · CAPRYLIC ALDEHYDE · OCTALDEHYDE · n-Octaldehyde · FEMA 2797
Identifiers & Physical Properties
| CAS No. | 124-13-0 |
|---|---|
| Molecular formula | C8H16O |
| Average molar mass | 128.21 g/mol |
| Monoisotopic mass | 128.12011513 g/mol |
| SMILES | CCCCCCCC=O |
| InChIKey | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| PubChem CID | 454 |
| ChEMBL | CHEMBL18407 |
| ChEBI | CHEBI:17935 |
| EC No. | 204-683-8 |
| DTXSID | DTXSID3021643 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 6 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 59.6 |
| Chemical classes | Other Classes -> Aldehydes |
| Lipids | Fatty Acyls [FA] -> Fatty aldehydes [FA06] |
| SpringerMaterials Properties | Boiling point |
| Fragrances | Fragrance Ingredient (Octanal) -> IFRA transparency List |
| LogP (partition coefficient) | log Kow = 3.5 at pH 6.9 (by HPLC)2.53 |
| Odor | Strong, fruity odorFatty, citrus, honey odor on dilutionPungent odorcitrus-like on dilutionfatty-orange odor |
| Taste | Taste characteristics at 25 ppm: aldehyde, green with a peely citrus orange note |
| Food additives | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.82 to 0.83 (USCG, 1999)0.8211 g/cu cm at 20 °CDensity: 0.820-0.8300.810-0.8300.821 @ 20°C0.822 g/mL at 20 °C |
| Flavoring agents | EU Flavoring substances |
| Color/Form | Colorless liquidColorless to light yellow liquid |
| Solubility | In water, 5.6X10+2 mg/L at 25 °CIn water, <0.01 wt% at 20 °CSlightly soluble in waterMiscible with alcohol, etherFor more Solubility (Complete) data for Octylaldehyde (7 total), please visit the HSDB record page.0.56 mg/mL0.21g/l |
| Melting point | 12-15 °C(lit.) |
| Boiling point | 171 °C(lit.) |
| Vapor pressure | 2 mm Hg ( 20 °C) |
| Refractive index | n20/D 1.421(lit.) |
| FEMA | 2797 | OCTANAL |
| FLAVIS Number | 05.009 | Octanal |
| Flash point | 125 °F |
| Storage conditions | Store below +30°C. |
| Physical state | Liquid |
| Color | Clear colorless to pale yellow |
| Odor type | aldehydic |
| Odor threshold | 0.00001ppm |
| Biological source | synthetic |
| Explosive limits | 1.0-6.5%(V) |
| Sensitivity | Air Sensitive |
| JECFA Number | 98 |
| Merck | 14,1766 |
| BRN | 1744086 |
| Henry's law constant | 2.0×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong reducing agents, strong bases. |
| Major applications | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 |
| InChIKey | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CCCCCCC |
| LogP (partition coefficient) | 3.5 at 20℃ |
| CAS DataBase Reference | 124-13-0(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | OCTANAL |
| EWG's Food Scores | 1 |
| FDA UNII | XGE9999H19 |
| NIST Chemistry Reference | Octanal(124-13-0) |
| EPA Substance Registry System | Octanal (124-13-0) |
| UNSPSC Code | 85151701 |
| NACRES | NA.24 |
| GHS pictogram | GHS02,GHS07,GHS09 |
| Signal word | Warning |
| GHS hazard statements | H226-H315-H319-H411 |
| GHS precautionary statements | P210-P273-P302+P352-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Risk statements (R) | 10 |
| Safety statements (S) | 16 |
| UN transport number | UN 1191 |
| Water hazard class (WGK) | 2 |
| RTECS number | RG7780000 |
| F | 10 |
| Autoignition temperature | 190 °C |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| Packing group | III |
| Customs code | 29121990 |
| Storage class | 3 - Flammable liquids |
| Hazardous substances data | 124-13-0(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 4616 mg/kg LD50 dermal Rabbit 5207 mg/kg |
| REACH registrations | Active |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1971) of reports.WarningH226 (93.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1971 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: OctanalOctanal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanal 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: 30-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5251Octanal: Does not have an individual approval but may be used under an appropriate group standard |
| DOT label | Flammable Liquid |
| Fire hazards | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Fire potential | Flammable liquid when exposed to heat, sparks, or flameModerate fire risk. Combustible. |
| Health hazards | Inhalation may be irritating to mucous membraneoverexposure may cause dizziness and collapse. Ingestion causes irritation of mouth and stomach. Contact with eyes or skin causes irritation. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| Hazards summary | Category of C7-C9 aliphatic aldehydes and carboxylic acids: Members and supporting chemicals demonstrate low acute toxicity by oral, dermal, and inhalation exposurestoxicity in repeated-dose studies only at relatively high levelsno evidence of reproductive toxicity, developmental toxicity, or mutagenicity[EPA ChAMP: Hazard Characterization] A skin, eye, and mucous membrane irritant[CAMEO] A skin irritant[eChemPortal: ERMA] An irritant[MSDSonline] |
| DOT ID and guide | 1191 129 |
| FDA requirements | Octanal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. |
| Reactive group | Aldehydes |
| 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. Octanal is included on this list. Effective date 9/30/91Sunset date: 6/30/98. |
| FIFRA requirements | Residues of 1-octanal are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. Use: Odor masking agent. Limit: Not more than 0.2% of the pesticide formulation.Residues of 1-octanal are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals. Use: Odor masking agent. Limit: Not more than 0.2% of the pesticide formulation.Residues of the following chemical substances are exempted from the requirement of a tolerance when used in accordance with good manufacturing practice as ingredients in an antimicrobial pesticide formulation, provided that the substance is applied on a semi-permanent or permanent food-contact surface (other than being applied on food packaging) with adequate draining before contact with food. (a) The following chemical substances when used as ingredients in an antimicrobial pesticide formulation may be applied to: Food-contact surfaces in public eating places, dairy-processing equipment, and food-processing equipment and utensils. Octanal is included on this list. Limits: When ready for use, the end-use concentration is not to exceed 100 ppm. |
| Reactivity Profile | N-OCTYLALDEHYDE is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermicthey are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation. |
| Fire fighting | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 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.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| First aid | Call for medical aid.General First Aid: |
| Exposure control and personal protection | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Fire fighting procedures | Suitable extinguishing media: Dry powder, dry sand. Unsuitable extinguishing media: Do NOT use water jet.Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.To fight fire, use foam, carbon dioxide, dry chemical. |
| Storage conditions | 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. Storage class (TRGS 510): 3: Flammable liquids |
| 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. 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 non-combustible absorbent material, (e.g. sand, earth, diatomaceous earth, vermiculite) and place in container for disposal according to local/national regulations. |
| Nonfire spill response | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| 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.Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product. |
| Preventive Measures | 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. 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.Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor or mist. Keep away from sources of ignition - No smoking. Take measures to prevent the build up of electrostatic charge.Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place. |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Immediate precautionary measure |
| Allowable Tolerances | Residues of 1-octanal are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest. Use: Odor masking agent. Limit: Not more than 0.2% of the pesticide formulation.Residues of 1-octanal are exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals. Use: Odor masking agent. Limit: Not more than 0.2% of the pesticide formulation.Residues of the following chemical substances are exempted from the requirement of a tolerance when used in accordance with good manufacturing practice as ingredients in an antimicrobial pesticide formulation, provided that the substance is applied on a semi-permanent or permanent food-contact surface (other than being applied on food packaging) with adequate draining before contact with food. (a) The following chemical substances when used as ingredients in an antimicrobial pesticide formulation may be applied to: Food-contact surfaces in public eating places, dairy-processing equipment, and food-processing equipment and utensils. Octanal is included on this list. Limits: When ready for use, the end-use concentration is not to exceed 100 ppm. |
| Body burden | Four of eight samples of human milk, from women living in Bayonne and Jersey City, New JerseyPittsburgh, PABaton Rouge, LACharleston, WV, contained octylaldehyde at unreported concentrations(1). |
| Interactions | The effects of 16 aliphatic aldehydes with 3-10 carbons on the growth and patulin production of Penicillium expansum were examined. When P. expansum spores were inoculated into apple juice broth, some alkenals, including 2-propenal, (E)-2-butenal, (E)-2-pentenal, and (E)-2-hexenal, inhibited fungal growth and patulin production. Their minimal inhibitory concentrations were 5, 50, 80, and 80 ug/mL respectively. Vital staining indicated that these alkenals killed mycelia within 4 hr. Treatment of the spores with these aldehydes also resulted in rapid loss of germination ability, within 0.5-2 d. On the other hand, aliphatic aldehydes with 8-10 carbons significantly enhanced patulin production without affecting fungal growth: 300 ug/mL of octanal and 100 ug/mL of (E)-2-octenal increased the patulin concentrations in the culture broth by as much as 8.6- and 7.8-fold as compared to that of the control culture respectively. The expression of the genes involved in patulin biosynthesis in P. expansum was investigated in mycelia cultured in apple juice broth containing 300 ug/mL of octanal for 3.5, 5, and 7 d. Transcription of the msas gene, encoding 6-methylsalicylic acid synthase, which catalyzed the first step in the patulin biosynthetic pathway was remarkably high in the 3.5-d and 5-d-old cultures as compared with the control. However, octanal did not any increase the transcription of the msas in the 7-d-old culture or that of the other two genes, IDH and the peab1, in culture. Thus the enhanced patulin accumulation with supplementation with these aldehydes is attributable to the increased amount of the msas transcript. |
| Ecotoxicity values | LC50Species: Alburnus alburnus (Bleak) wild caughtConditions: saltwater, staticConcentration: 16 mg/L for 96 hr (95% confidence interval: 15-17 mg/L) /data for metabolic precursor, 1-octanol dissolved in water and acetone/Species: Pimephales promelas (Fathead minnow) juvenile 26-34 days oldConditions: freshwater, flow throughConcentration: 13.5 mg/L for 96 hr /data for metabolic precursor, 1-octanol/Species: Nitocra spinipes (Harpacticoid) 3-6 wk oldConcentration: 58 mg/L for 96 hr (95% confidence interval: 53-64 mg/L) /data for metabolic precursor, 1-octanol dissolved in acetone/water/ |
| Environmental fate | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 290(SRC), determined from a log Kow of 3.5(2) and a regression-derived equation(3), indicates that octylaldehyde is expected to have moderate mobility in soil(SRC). Volatilization of octylaldehyde from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 5.14X10-4 atm-cu m/mole(4). Octylaldehyde has a vapor pressure of 0.6 mm Hg(2) and exists as a liquid under environmental conditionstherefore, octylaldehyde may volatilize from dry soil. Utilizing the Zahn-Wellens test, 77% degradation was reached using an activated sludge inoculum after 28 days(5) which indicates this compound is expected to biodegrade under certain environmental conditions in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 290(SRC), determined from a log Kow of 3.5(2) and a regression-derived equation(3), indicates that octylaldehyde may adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a estimated Henry's Law constant of 5.14X10-4 atm-cu m/mole(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 60(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Utilizing the Zahn-Wellens test, 77% degradation was reached using an activated sludge inoculum after 28 days(7) which indicates this compound is expected to biodegrade under certain environmental conditions in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octylaldehyde, which has a vapor pressure of 0.6 mm Hg at 20 °C(2), will exist solely in the vapor phase in the ambient atmosphere. Vapor-phase octylaldehyde 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 12 hours(SRC), calculated from its rate constant of 3.2X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Octylaldehyde does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| Food survey values | Octylaldehyde has been reported in foods and beverages including, apple, apricot, many berries, guava, grapes, melon, papaya, celery, peas, potato, tomato, ginger, spearmint oil, hop oil, beer, rum, cider, white wine, cocoa, tea, roasted filberts and peanuts, pecans, oats, coconut products, soybean, avocado, passion fruit, starfruit, beans, mushroom, trassi, macadamia nut, sesame seed, mango, cauliflower, tamarind, loquat, angelica root oil and mastic gum oil(1).Octylaldehyde was detected in peanut oil, heated to 200 °C, at unreported concentrations(1). Commercial rice cakes were found to contain 800-960 ppb of octylaldehyde(2). Octylaldehyde was identified in gari and farine, both products of cassava(3), in Beaufort cheese(4), roasted filberts(5), heated corn oil(6), kiwi fruit flowers(7), in both commercial and concentrated aqueous orange essences(8). Bisbee Delicious apples from Washington state emitted increasing concentrations of octylaldehyde through the end of August (to 1671.9 pL/kg-hr) but concentrations decreased in apples harvested after this point (to 32.4-141.9 pL/kg-hr)(9). Octylaldehyde was detected in raw and roasted earth almonds (Cyperus esculentus L.)(10). Octylaldehyde was detected in the emissions from heated rapeseed oil(11).Commercial samples of California navel orange, Florida Valencia orange, midseason orange, tangerine, and white grapefruit cold-pressed oils contained 0.161, 0.449, 0.358, 0.371, 0.493 wt% octylaldehyde, respectively(12). Octylaldehyde was detected in whole and ground musty sorghum with direct helium-purge method and with supercritical fluid extraction method(13).Octylaldehyde was identified as a volatile component of raw beef(1) and in scrambled eggs(2) at unreported concentrations. Octylaldehyde was measured at 999 ng/g and 1080 ng/g in big eyed herring paste and hair tail viscera paste, and was not detected in anchovy paste or shrimp paste(3). Octylaldehyde was detected in full fat and reduced fat frankfurters(4), Italian-type dry-cured ham(5), and as an odorant in cooked mussels (Mytilus edulis)(6). Octylaldehyde was released from charbroiling meat at 146,000 ug/kg of cooked meat(7). Aroma concentrates of uncured beef and chicken contained 0.69 mg/kg and 5.08 mg/kg octylaldehyde, respectively(8). Octylaldehyde was isolated as a volatile component of duck meat at 9.3 ppb, duck fat at 13.64 ppb, Cantonese style roasted duck at 9.66 ppb and Cantonese style roasted duck gravy at 38.08 ppb(9).Octylaldehyde has been reported in cooked eggs and meats(1). Octylaldehyde has been detected in foal meat at increasing levels upon aging(2). |
| Milk Concentrations | Octylaldehyde has been reported in cheeses, butter and milk(1). Four of eight samples of human milk, from women living in Bayonne and Jersey City, New JerseyPittsburgh, PABaton Rouge, LACharleston, WV, contained octylaldehyde at unreported concentrations(2). |
| Toxicity summary | IDENTIFICATION AND USE: Octylaldehyde (Octanal) is a colorless liquid. It is employed in the perfume industry for the preparation of synthetic citrus oils and for the synthesis of alpha-hexylcinnamaldehyde. HUMAN STUDIES: In vitro in human A549 cells octanal affects the expression of several chemokines and inflammatory cytokines and increases the levels of interleukin 6 (IL-6) and IL-8 released. Microarray analysis identified 15 miRNAs that were differentially expressed in octanal-exposed A549 human alveolar cells. ANIMAL STUDIES: It induced a significant decrease in the number of live pups in rats but only at a dose which causes maternal toxicity. Octanal was tested in Salmonella typhimurium TA98, TA100, TA1535 and TA1537 with and without metabolic activation. No cytotoxic or genotoxic effects were observed. ECOTOXICITY STUDIES: A membrane damage mechanism involving membrane peroxidation might contribute to the antifungal activity of octanal against P. digitatum spores. Aflatoxin production by the fungus Aspergillus parasiticus was stimulated by octanal. |
| Plant Concentrations | Octylaldehyde was detected in raw earth almonds (Cyperus esculentus L.)(1). Octylaldehyde was detected in the emissions from northern red oak, dawn redwood, bass wood, eastern hemlock, iron wood, slippery elm, loblolly pine and black gum trees from Fernbank Forest, Atlanta, GA, from sugar maple, cotton grass, and yellow birch trees from Willow Springs, WI and apple, big sugar bush, willow, Gambell oak, service berry, snow berry and salt bush trees from Temple Ridge, Hayden, CO(2). Octylaldehyde was detected in the emissions of Quercus ilex (oak) from the Mediterranean(3). Octylaldehyde was emitted from rape during the blooming period at a rate of 0.04-0.15 and 0.06-0.19 ppbv on May 8 and 9, 1998(4). Octylaldehyde was detected in whole musty sorghum with direct helium-purge method and with supercritical fluid extraction method(5). Octylaldehyde was detected in Tahitian liverwort (Cyathodium foetidissimum)(6).Octylaldehyde occurs in various plants and plant parts(1).[Table#5196] |
| Animal Concentrations | Octylaldehyde has been reported in cooked eggs and meats(1). Octylaldehyde has been detected in foal meat at increasing levels upon aging(2). |
| Ongoing Test Status | EPA has released the Interactive Chemical Safety for Sustainability (iCSS) Dashboard. The iCSS Dashboard provides an interactive tool to explore rapid, automated (or in vitro high-throughput) chemical screening data generated by the Toxicity Forecaster (ToxCast) project and the federal Toxicity Testing in the 21st century (Tox21) collaboration. /The title compound was tested by ToxCast and/or Tox21 assays/[USEPAICSS Dashboard ApplicationAvailable from, as of February 4, 2019: http://actor.epa.gov/dashboard/] |
| Effluent Concentrations | Octylaldehyde was identified, not quantified, in rush hour traffic air samples taken at the Oakland-San Francisco Bay Bridge toll plaza April 23, 2001, 5-7PM, April 24, 2001, 6-10AM, and 3-7PM(1). Octylaldehyde was emitted in the exhaust gases from a diesel engine at unreported concentrations(2). Octylaldehyde was measured in the emissions of medium duty diesel trucks at a rate of 3,100 ug/km in the gas phase(3). Octylaldehyde was measured in the emissions of gasoline powered motor vehicles at a rate of 190 ug/km and 2,600 ug/km for catalyst equipped engines and non-catalyst equipped engines(4). |
| Soil Adsorption/Mobility | The Koc of octylaldehyde is estimated as 290(SRC), using a log Kow of 3.5(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that octylaldehyde is expected to have moderate mobility in soil(SRC). |
| F | 10 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| RTECS number | RG7780000 |
| UN transport number | UN 1191 |
| Customs code | 29121990 |
| Toxicity | LD50 orally in Rabbit: 4616 mg/kg LD50 dermal Rabbit 5207 mg/kg |
| Risk statements (R) | 10 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07,GHS09 |
| Safety statements (S) | 16 |
| Hazard class | 3Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| GHS hazard statements | H226-H315-H319-H411 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| REACH registrations | Active |
| Autoignition temperature | 190 °C |
| GHS precautionary statements | P210-P273-P302+P352-P305+P351+P338 |
| Hazardous substances data | 124-13-0(Hazardous Substances Data) |
Applications & Uses
Description
May be prepared by oxidation of the corresponding alcohol or reduction of the corresponding acid; also from coconut fatty acids via methyl-n-octanoate.
Occurrence
Reported found in the essential oils of sweet orange, bitter orange, mandarin, tangerine, grapefruit, Mexican lime, lemon, Taiwan citronella, rose, lemongrass, Pinus sabiniana, Pinus jefferyi, Xanthoxylum rhetsa, lime petitgrain, clary sage, lavandin, and others. Also reported in over 180 foods and beverages including apple, apricot, many berries, guava, grapes, melon, papaya, celery, peas, potato, potato chips, tomato, ginger, spearmint oil, cheeses, butter, milk, cooked egg, fish and fish oil, meats, hop oil, beer, rum, cider, white wine, cocoa, tea, roasted filberts and peanuts, pecans, oats, coconut products, soybean, avocado, passion fruit, starfruit, beans, mushroom, trassi, macadamia nut, sesame seed, mango, cauliflower, tamarind, fig, calamus, rice, sweet potato, dill, lovage, caraway seed, corn oil, corn tortillas, loquat, shrimp, lobster, oyster, crab, crayfish, clam, maté, angelica root oil and mastic gum oil.
Uses
Octanal is an aromatic aldehyde often found in citrus oils. It is used commercially as a component in perfumes and in flavor production for the food industry.
General Description
Colorless liquids with a strong fruity odor. Less dense than water and insoluble in water. Flash points 125°F. Used in making perfumes and flavorings.
Preparation & Synthesis
Preparation
By oxidation of the corresponding alcohol or reduction of the corresponding acid; also from coconut fatty acids via methyl-n-octoate.