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HCID 2345생성일: 2026년 10월 26일

Benzyl Benzoate

https://huagongshe.com/ko/chemical/2345

Benzyl Benzoate 분자 구조식

식별자 및 물리적 특성

CAS No.120-51-4
분자식C14H12O2
평균 분자량212.24 g/mol
단동위원소 질량212.08372962 g/mol
SMILESO=C(OCc1ccccc1)c1ccccc1
InChIKeySESFRYSPDFLNCH-UHFFFAOYSA-N
PubChem CID2345
ChEMBLCHEMBL1239
ChEBICHEBI:41237
EC No.204-402-9
DTXSIDDTXSID8029153

화학 및 물리적 성질

XLogP4
극성 표면적26.3
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수4
무거운 원자 수16
형식 전하0
복잡도213
pHSolution in alcohol practically neutral to moistened litmus paper
LogP(분배 계수)3.97log Kow = 3.973.7
냄새Light, balsamic odor reminiscent of almondFaint, pleasant, aromatic odor약간 방향족 냄새
맛Sharp burning taste
밀도1.1121 g/cu cm at 25 °CRelative density (water = 1): 1.11.113-1.1211.116 @25 °C
Viscosity8.292 cP at 25 °C
Color/FormLeaflets or oily liquidWater-white liquidColorless, oily liquidClear, colorless liquid
용해도15.4Insoluble in waterInsoluble in glycerolmiscible with alcohol, chloroform, ether, oilsSoluble in ethanol, ethyl ether, acetone, benzene, methanol, chloroform1.98e-02 g/LSolubility in water: none
인화점148 °C158 °C (316 °F) - closed cup298 °F (148 °C) - closed cup298°F
끓는 점323.5321.3 °CBP: 323-324 °C323.00 to 324.00 °C. @ 760.00 mm Hg324°C
DecompositionHazardous decomposition products formed under fire conditions - Carbon oxides.When heated to decomposition it emits acrid and irritating fumes and smoke.
녹는점2119 °C21 °C17-20 °C
증기 밀도7.3
증기압0.000224 mm Hg @ 250C
굴절률1.569-1.570
물리적 상태액체
색상무색 유성 액체
용해도물에 불용성

안전 및 규제

GHS 분류WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
규제 정보Chemical: Benzoic acid, phenylmethyl esterHazard Traits - Fragrance AllergenAuthoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance AllergensReport - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzoic acid, phenylmethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, phenylmethyl ester 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: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13634Benzyl benzoate: HSNO Approval: HSR003504 Approved with controls
기타 안전 정보IMAP assessments - Benzoic acid, phenylmethyl ester: Human health tier I assessment
화재 위험Combustible.
화재 가능성Combustible liquid.
유해성 요약A skin, eye, and respiratory tract irritant[ICSC] Included in list of established contact allergens in humans[EC: Scientific Committee on Consumer Safety: Fragrance allergens in cosmetic products (2011)] Harmful if swallowed[MSDSonline] Direct contact may cause skin irritation but rarely allergic contact dermatitis. [Kanerva, p. 1757]
FDA 요건Synthetic flavoring substances and adjuvants may be safely used in food in accordance with the following conditions. (a) They are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice. (b) They consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part. Benzyl benzoate is included on this list.Benzyl benzoate is an indirect food additive for use as a component of adhesives.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses ... . However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: benzyl benzoate is included in pediculicide drug products.
EC 분류Symbol: XnR: 22S: (2)-25
Special ReportsUSEPA/Office of Prevention, Pesticides and Toxic SubstancesReregistration Eligibility Decision Document - Benzyl Benzoate (Benzoic Acid case 4013), EPA-HQ-OPP-2007-0470-0002 (June 2007). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the USA.[Available from, as of December 19, 2018: https://iaspub.epa.gov/apex/pesticides/f?p=chemicalsearch:1]
FIFRA 요건The Agency has completed its review of submitted data and its assessment of the residential and occupational risks associated with the use of pesticide products containing the active ingredient benzyl benzoate. Based on these data, the Agency has sufficient information on the human health effects of benzyl benzoate to make its decision as part of the reregistration process under FIFRA. ... the registrant for AllerCare products Raid Product 319 and Raid Product 420, has asked for the voluntary cancellation of both products. The Agency has determined that all other remaining benzyl benzoate products are eligible for registration.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 future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Benzyl benzoate is found on List D. Case No: 4013Pesticide type: insecticide, fungicideCase Status: OPP is reviewing data from the pesticide's producers regarding its human health and/or environmental effects, or OPP is determining the pesticide's eligibility for reregistration and developing the Reregistration Eligibility Decision (RED) document.Active ingredient (AI): Benzyl benzoateAI Status: The producers of the pesticide has made commitments to conduct the studies and pay the fees required for reregistration, and are meeting those commitments in a timely manner.
대기 기준This 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. Benzyl benzoate is produced, as an intermediate or a final product, by process units covered under this subpart.
Chemical DangersOn combustion, forms toxic and irritating fumes.
Physical DangersThe vapour is heavier than air.
소화Use water spray, powder, foam, carbon dioxide.
응급 조치Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.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.
안전 보관Ventilation along the floor.
소화 절차Suitable 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 carbon dioxide, water spray or mist, dry chemical.
보관 조건Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.Benzyl benzoate should be stored in light-resistant containers and should not be exposed to excessive heat.
정리 방법ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. 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: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.
처리 방법SRP: 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 companyContaminated packaging: Dispose of as unused product.
누출 처리Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.
Preventive MeasuresACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. 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.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.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
상호 작용The use of benzyl benzoate as a vehicle constituent in administering cyproterone acetate caused morphological changes detectable at the ultrastructural level in the adrenal cortex. Castor oil and benzyl benzoate in a 4:1 ratio caused intracellular as well as intercellular changes. In the zona fasciculata there were alterations in mitochondrial shape, size, and matrix. Intercellular changes affected the morphology of macrophages in the zona fasciculata and zona reticularis. It is believed that the castor oil and benzyl benzoate vehicle caused stress-induced changes.
생태독성 수치LC50Species: Colinus virginianus (Northern Bobwhite Quail) age 14 daysdiet (in food) >5000 ppm for 8 days /99.4% purity/LD50Species: Colinus virginianus (Northern Bobwhite Quail) age 23 weeksoral via capsule >2000 mg/kg /99.4% purity/Species: Oncorhynchus mykiss (Rainbow trout) matureConditions: freshwater, flow throughConcentration: 4.8 mg/L for 96 hr /99.8% purity/Species: Gammarus fasciatus (Scud) matureConditions: freshwater, staticConcentration: 9.8 mg/L for 24 hr /99% purity/Concentration: 4.8 mg/L for 96 hr /99% purity/
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2500(SRC), determined from a structure estimation method(2), indicates that benzyl benzoate is expected to have slight mobility in soil(SRC). Volatilization of benzyl benzoate from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.3X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). Benzyl benzoate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.24X10-4 mm Hg at 25 °C(3). Utilizing the Japanese MITI test, 90% of the Theoretical BOD was reached in 4 weeks(4) indicating that biodegradation is an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2500(SRC), determined from a structure estimation method(2), indicates that benzyl benzoate is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 2.3X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). According to a classification scheme(4), an estimated BCF of 190(SRC), from its log Kow of 3.97(5) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Hydrolysis is not expected to be an important environmental fate process as suggested by estimated acid-base hydrolysis half-lives of 1.7 years and 63 days at pH 7 and pH 8, respectively(1). Utilizing the Japanese MITI test, 90% of the Theoretical BOD was reached in 4 weeks(6) indicating that biodegradation is an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzyl benzoate, which has a vapor pressure of 2.25X10-4 mm Hg at 25 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase benzyl benzoate 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 55 hrs(SRC), calculated from its rate constant of 7.0X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase benzyl benzoate may be removed from the air by wet and dry deposition(SRC). Benzyl benzoate contains chromophores that absorb at wavelengths >290 nm(4) and, therefore, may be susceptible to direct photolysis by sunlight(SRC).
식품 조사 수치Benzyl benzoate has been reported at a concentration of 0.22 ug/g in volatiles from pineapple guava (Feihoa sellowiana Berg) fruit(1). The compound was detected, not quantified in new fraction of volatiles of clove essential oil (Eugenia carophyllus Spreng)(2).
유해 작용Skin Sensitizer - An agent that can induce an allergic reaction in the skin.
노출 경로The substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
독성 요약Safe 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: Benzyl benzoate is a liquid. It is used as solvent of cellulose acetate, nitrocellulose and artificial musk, substitute for camphor in celluloid and plastic pyroxylin compounds, perfume fixative, in confectionary and chewing gum flavors. As an insecticide/miticide, it was used to control dust mites in carpets, mattresses, upholstery, and on furniture. Benzyl benzoate is used as an alternative agent for the topical treatment of scabies and also has been used for the topical treatment of pediculosis (lice infestation). It is also used in veterinary medicine as acaricide and pediculicide, but is contraindicated in cats. It was used in the Vietnam War to eradicate and repel certain ticks and mites. HUMAN STUDIES: Direct contact may cause skin irritation. Liquid is irritating to eyes on direct contact, but no damage has been reported. There was no evidence of adverse effects on pregnancy outcome due to topical benzyl benzoate lotion. Benzyl benzoate gave estrogenic responses in a human breast cancer cell line in culture. ANIMAL STUDIES: 13-week study in rats demonstrated decreased body weight gain and mortality at 800 mg/kg/day. Neurotoxicity signs noted such as staggering, respiratory difficulty, and lethargy. Hemorrhages were found around the mouth and nose, and histologic lesions in the brain, thymus, skeletal muscle, and kidney. Benzyl benzoate was not tested for carcinogenicity, but the metabolite benzyl alcohol was tested in rats and mice. No evidence of carcinogenic activity was found in benzyl alcohol. The maternal and fetal toxicity of benzyl benzoate was evaluated in pregnant rats after a daily oral dose of 25 and 100 mg/kg. The results demonstrated that benzyl benzoate and its metabolites can transport to the placenta and eventually enter the fetuses. Benzyl benzoate was tested for mutagenicity and found to be negative in inducing unscheduled glycol nucleic acid synthesis in rat liver cells. The chemical did not cause damage to hormones
Plant ConcentrationsBenzyl benzoate concentrations in plants(1).Table: 9 of 21 Plants Listed [Table#816]
Signs and SymptomsCough. Sore throat.MAY BE ABSORBED! Dry skin. Redness.
Acute Toxicity LinkChemical: BENZYL BENZOATE
Ongoing Test StatusEPA 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 ConcentrationsBenzyl benzoate has been detected in fly ash from an unspecified waste incineration operation, as reported in a literature review spanning 1964 through 1979(1). The compound was reported present in spent kraft bleaching liquors of beech and akamtsu pulps, from an unspecified plant in Japan(2).
독성LD50 orl-rat: 1700 mg/kg JPETAB 93,26,48
포장분류III
자연 발화 온도480°C