Basic information
- Standard SMILES
CC(=O)OC(C)c1ccccc1- InChIKey
QUMXDOLUJCHOAY-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
1-Phenylethyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Names & identifiers
- Preferred name
- 1-Phenylethyl Acetate
- IUPAC
- 1-phenylethyl acetate
- English name
- Methylbenzyl acetate
- Molecular formula
- C10
- Molecular weight
- 0
Names & synonyms
1-Phenylethyl acetate93-92-5Styralyl acetatealpha-Methylbenzyl acetateMethylphenylcarbinyl acetateMethyl phenyl carbinyl acetatemethyl phenylcarbinyl acetatesec-Phenylethyl acetateUNII-FYS3E9NBA3.alpha.-Methylbenzyl acetateEINECS 202-288-5DTXSID6041636
Show more names
METHYLBENZYLACETATE(MIXEDORTHO,META,PARA)
Benzenemethanol, alpha-methyl-, acetateBENZENEMETHANOL, .ALPHA.-METHYL-, ACETATE1-Acetoxy-1-phenylethaneBRN 1908635AI3-18152FEMA 2684NSC-2397EC 202-288-5
Database identifiers
- CAS
29759-11-3、93-92-5- PubChem CID
- 62341
- DTXSID
DTXSID6041636- ChEMBL
CHEMBL3184429- ChEBI
CHEBI:180412- UNII
- FYS3E9NBA3
- EC Number
- 202-288-5、608-412-8
- Nikkaji
- J155.063B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
FragrancesFragrance Ingredient (alpha-Methylbenzyl acetate) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
1.024-1.040
1.020-1.035
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
94.00 to 95.00 °C. @ 12.00 mm Hg
215-222 °C
214 °C
Refractive Index
1.500-1.510
1.492-1.504
Physical Description
Liquid; Dry Powder; Liquid; CBI
colourless liquid with a powerful sweet floral-fruity, herbaceous odour
colourless liquid with a powerful green-floral odour
Physicochemical properties
- FEMA
- 3702 · 3702 | METHYLBENZYL ACETATE (MIXED O,M,P)
- Odor
- 1 % · at 1.00 % in dipropylene glycol. sweet floral fruity herbal
- Odor Type
- floral
- JECFA Number
- 863 · 863
- Cosmetics Ingredients Functions
- PERFUMINGFRAGRANCE
- LogP
- 2.28 · 2.28
- Substances Added to Food (formerly EAFUS)
- METHYLBENZYL ACETATE (MIXED O-, M-, P-)
- FDA UNII
- 4 RVP859F5 · P4RVP859F5
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1775 of 1775) of all reports.
Not Classified
Aggregated GHS information provided per 1775 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, .alpha.-methyl-, acetate
Regulation (EC) No 1831/2003 (amended)
Benzenemethanol, .alpha.-methyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, .alpha.-methyl-, 1-acetate 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/12745
Benzenemethanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 114 consumer products that contain Methylbenzyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenemethanol, .alpha.-methyl-, 1-acetate: ACTIVE
Applications
DescriptionSynthesis: By acetylation of the alcohol.
Preparation methods
PreparationBy acetylation of the alcohol.
Suppliers50 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
山东穗泰生物科技有限公司15689727968 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江西林缘香料有限公司13879661494 13879661494
山东洛克化工有限公司17653113209 13065062079 · [email protected]
吉良化学21-62165282 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
河南蔚源生物科技有限公司0371-27990887 13703782753 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [email protected]
越林试剂021-62960152 · [email protected]
武汉普洛夫生物科技有限公司17612776928 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
日照力德士化工有限公司010-51268198 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
泰安市江舟生物科技有限公司1385-13854830759 13854830759 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
深圳市森迪生物科技有限公司18124570582 TEL：0755-23574479 2355327139 · [email protected]
武汉卡诺斯科技有限公司18064039730 · [email protected]
武汉曙欧科技有限公司17792809151;18872220797 · [email protected]
Additional notes
DefinitionChEBI: 1-Phenylethyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Related reactions
8 records
Linked notes
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