返回
化工社化工社化学信息打印报告 · 仅供科研参考
HCID 6054生成日期:2026年10月23日

苯乙醇

https://huagongshe.com/zh-CN/chemical/6054

苯乙醇 分子结构式

标识与物理属性

CAS No.1321-27-3
分子式C8H10O
平均分子量122.16 g/mol
单同位素质量122.07316494 g/mol
SMILESOCCc1ccccc1
InChIKeyWRMNZCZEMHIOCP-UHFFFAOYSA-N
PubChem CID6054
ChEMBLCHEMBL448500
ChEBICHEBI:49000
EC No.200-456-2
DTXSIDDTXSID9026342
中文名苯乙醇

化学与物理性质

XLogP1.4
极性表面积20.2
氢键供体1
氢键受体1
可旋转键2
重原子9
形式电荷0
复杂度65
药物Pharmaceuticals -> Listed in ZINC15
PolymersOther Classes -> Alcohols and Polyols, Other
化妆品Cosmetic ingredients (Phenethyl Alcohol) -> CIR (Cosmetic Ingredient Review)Deodorant
SpringerMaterials PropertiesSchoenflies notation
香料Fragrance Ingredient (Phenethyl alcohol) -> IFRA transparency List
LogP(油水分配系数)log Kow = 1.361.4
气味CHARACTERISTIC ROSE-LIKE ODORPure PEA has an extremely mild roselike odor. >99% pure vary in odor because of the impurities present.
味道INITIALLY SLIGHTLY BITTER TASTE THEN SWEET & REMINISCENT OF PEACHSharp burning taste
食品添加剂FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
密度1.0202 AT 20 °C/4 °C1.02 g/cm³1.017-1.020
食用香料EU Flavoring substances
Viscosity7.58 centapoise @ 25 °C3.19 centpoise @ 50 °C3.1 mm²/s at 50 °C

安全与法规

GHS 分类This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2688) of reports.WarningH302 (81.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2688 reports by companies from 36 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger
法规信息Chemical: BenzeneethanolRegulation (EC) No 1831/2003 (amended)Benzeneethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneethanol 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: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13615Benzeneethanol: Does not have an individual approval but may be used under an appropriate group standard
其他安全信息IMAP assessments - Benzeneethanol: Human health tier II assessment
火灾危害Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
危害概述Higher alcohols are not highly toxic in the industrial settingCan cause liver injury, somnolence, and respiratory depression in experimental animals[HSDB] General anesthetic effect after subcutaneous injection of mice[RTECS] A skin, eye, and respiratory tract irritantInhalation of high concentrations may cause CNS effectsPossible toxic effects on human reproduction[ICSC] May cause corneal injury[CHEMINFO] Safe when used as a flavoring agent in food[JECFA] Has teratogenic effects in rats at doses >4.3 mg/kg[REPROTOX] TLV Basis is embryo/fetal damage. [ACGIH TLVs and BEIs]
FDA 要求Phenethyl alcohol 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.
联合国分类UN Hazard Class: 6.1UN Pack Group: III
EPA Safer ChemicalChemical: Benzeneethanol
Chemical DangersDecomposes on heating. This produces acrid smoke and irritating fumes. Reacts with strong oxidants and strong acids.
Packaging and LabellingDo not transport with food and feedstuffs.
NFPA Hazard Classification1 - Materials that, under emergency conditions, can cause significant irritation.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.0 - Materials that in themselves are normally stable, even under fire conditions.
Peroxide Forming Chemical2-PhenylethanolB: Compounds that form peroxides on concentration (distillation/evaporation)2 samples had 10, 12 ppm, age &gt1 yrsKelly
Hazard Classes and CategoriesAcute Tox. 4 (81.5%)Acute toxicity (ingestion) - category 4Acute toxicity (Oral) - Category 4
消防Use water spray, powder, alcohol-resistant foam, carbon dioxide.
急救措施Fresh air, rest. Refer for medical attention.Rinse and then wash skin with water and soap. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Refer for medical attention .
安全储存Separated from strong oxidants, strong acids and food and feedstuffs. Well closed. Keep in a well-ventilated room.
处置方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
泄漏处置Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
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.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT GENERATION OF MISTS!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
环境归趋TERRESTRIAL FATE: Based on a recommended classification scheme(2), an estimated Koc value of 29(SRC), derived from a molecular structure estimation method(1), suggests that 2-phenylethanol will have very high mobility in soil(SRC). 2-Phenylethanol is estimated to have a Koc of 29(1,SRC) and therefore would be expected to be very mobile in soil(2) and would be likely to leach. Limited data in an aerobic screening test(3) indicate that it is readily biodegradable and therefore may readily biodegrade in soil(SRC).AQUATIC FATE: The Henry's Law constant for 2-phenylethanol estimated from its vapor pressure, 0.0868 mm Hg at 25 °C(1), and water solubility, 16,000 mg/L(2), is 1.5X10-7 atm-cu m/mol(SRC). Using this value of the Henry's Law constant, one can estimate a volatilization half-life of 2-phenylethanol in a model river 1 m deep flowing at 1 m/s with a wind speed of 3 m/s is 46.5 days(3,SRC). 2-Phenylethanol has been demonstrated to be readily biodegradable in an aerobic screening test(4) and therefore may biodegrade in natural water(SRC). Based on a recommended classification scheme(7), an estimated Koc value of 29(SRC), determined from molecular structure(5), indicates that 2-phenylethanol will not adsorb to sediment and particulate matter in the water column(SRC). An estimated BCF value of 6(SRC), based on a log Kow of 1.36(6) and a recommended regression-derived equation(3), suggest that 2-phenylethanol will not bioconcentrate in aquatic organisms(SRC), according to a recommended classification scheme(8).ATMOSPHERIC FATE: According to a theory of gas/particle partitioning of semivolatile organic compounds in the atmosphere(2), 2-phenylethanol, which has a vapor pressure of 0.0868 mm Hg at 25 °C(3) will exist as a vapor in the ambient atmosphere(SRC). Vapor-phase 2-phenylethanol 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 1.6 days(1,SRC). 2-Phenylethanol solubility in water is 16,000 mg/L(4), and therefore it may be washed out of the atmosphere by rain(SRC).
食品调查数值2-Phenylethanol has been identified as a volatile component of following foods: tea(1), mushrooms(1), orange juice(2), beer (8-15 ppm)(2), Korean chamchwi(3), casava(4), filberts(5) and Kogyoku apples(6). It has also been identified in meat(7,8), blue cheese(9), a Swiss Mountain cheese(10) and wine(11).
不良影响Neurotoxin - Acute solvent syndrome
暴露途径The substance can be absorbed into the body by inhalation of its aerosol or vapour, through the skin and by ingestion.
毒性概述On the basis of the available data, the Expert Panel concludes that Phenethyl Alcohol is safe in cosmetic products in the present practices of use at concentrations of up to 1%.Safe for use in cosmetics, with qualifications
Plant Concentrations2-Phenylethanol has been identified in a variety of plants, including: tea roses(1), kiwi fruit flowers(3), Plumeria acutifolia oil, Japanese tobacco leaf oil, ylang-ylang, narcissus, hyacinth, lily, and tea leaves(2).
Signs and SymptomsCough. Sore throat. Headache. Nausea.Redness.Redness. Pain.Abdominal pain. Burning sensation. Further see Inhalation.
Effluent ConcentrationsIn a comprehensive survey of wastewater from 4000 industrial and publicly owned treatment works (POTWs) sponsored by the Effluent Guidelines Division of the U.S. EPA, 2-phenylethanol was identified in discharges of the following industrial category (positive occurrences, median concn in ppb): timber products (5252.4), leather tanning (1140.1), iron and steel mfg (118.7), nonferrous metals (28.9), paint and ink (137.7), organics and plastics (931.1), textile mills (214.9), pulp and paper (244.3), rubber processing (120.7), soaps and detergents (4182.1), pharmaceuticals (3301.2), explosives (114.3), electronics (1176.2), synfuels (68262.4), publicly owned treatment works (1040.5), rum industry (10489.2)(1). Industries with maximum effluent concns above 1 ppm were: organics and plastics, 4.5 ppmsynfuels, 31.1 ppm, and the rum industry 4.6 ppm(1).2-Phenylethanol has been reported in effluent from a publicly-owned treatment works (POTW) in New Jersey(1), the Iona Island wastewater treatment plant in Vancouver, British Colombia(2) and in leachate from a sanitary landfill in Barcelona, Spain(3). It was found in wastewater of a petrochemical company that discharged into the Calcasieu River, LA(4).
Soil Adsorption/MobilityUsing an estimation method based on molecular connectivity indices(1), the Koc for 2-phenylethanol is estimated to be 29(SRC). According to a suggested classification scheme(2), this Koc value suggests that 2-phenylethanol will have very high mobility in soil(SRC).
TSCA Test SubmissionsThe effects of phenylethyl alcohol (PEA) on the pregnancy of female CrL: COBS CD (SD) BR strain rats (25/control and mid-dose groups, 35/low- and high-dose groups) exposed to PEA by skin painting at dose levels of 0 (water control), 0.14, 0.43 or 1.40 ml/kg/day during days 6-15 of pregnancy were evaluated. The animals were sacrificed on day 20 of pregnancy. Significant differences between high-dose level and control dams were observed in the following: increased clinical observations such as irritability, hunched posture, walking on toes, piloerection and peri-orbital staining, and increased mortality (3/35 animals), decreased body weight gain, decreased levels of creatinine, glutamic-pyruvic transaminase, and increased white cell count. Significant differences between high-dose level and control litter parameters were observed in the following: increased incidence of embryo-fetal deaths (primarily early in pregnancy), decrease in litter size and weight, increased incidence of defects including anophthalmia/microphthalmia, ventricular septal defects, defects/irregularities affecting thorax, and/or kinky tail, defects of the thoracic ribs and occurrence of cervical rib(s). No significant differences between treated and control animals were observed in the following: relative liver and kidney weights, or pregnancy rates. No significant differences between mid- and low-dose level and control groups were observed with respect to maternal toxicity or litter parameters, although a small, dose-dependent increase in some of the morphological parameters was observed in the fetuses of the mid-dose level group.
Natural Pollution Sources2-Phenylethanol is a natural product. It has been found in fresh tearose leaves(1). The alcohol, as well as a number of its esters, has been isolated from a great variety of natural sources including oranges, Plumeria acutifolia oil, Japanese tobacco leaf oil, yland-ylang, narcissus, hyacinth, lily, and tea leaves(2). Other natural essential oils containing 2-phenylethanol include: rose, carnation, Aleppo pine, orange blossom, geranium Bourbon, neroli and champaca(3)./ALSO REPORTED FOUND/ IN TOBACCO... IT HAS BEEN IDENTIFIED IN WINES.REPORTED FOUND (AS IS OR ESTERIFIED) IN SEVERAL NATURAL PRODUCTS: ROSE CONCRETE, ROSE ABSOLUTE (60% OR MORE), & ROSE DISTILLATION WATERSALSO FOUND IN ESSENTIAL OILS OF NEROLI, YLANG-YLANG, NARCISSUS, HYACINTH, LILY, TEA LEAVES, MICHELIA CHAMPACA, PANDAMUS ODORATISSIMUS, CONGO & REUNION GERANIUM...
Human Toxicity ExcerptsPHENETHYL ALCOHOL 0.5% IN 0.9% SODIUM CHLORIDE APPLIED AS EYEDROPS TO PT IS REPORTED TO CAUSE SENSATION OF SMARTING IN ABOUT 3 OF 4 PT, BUT TO PRODUCE ONLY OCCASIONAL SLIGHT CONJUNCTIVAL HYPEREMIA.... A patch test using phenyl ethyl alcohol full strength for 24 hr produced no irritation in 20 human subjects. A skin sensitization test carried out on 25 volunteers at a conc of 8% in petrolatum produced no sensitization reactions.Similar threshold conc (0.5%) for conjunctival irritation were noted for phenethyl alcohol in humans and rabbits ... . /Phenethyl alcohol/