Basic information
- CAS
7775-38-4- Standard SMILES
CC(OC=O)c1ccccc1- InChIKey
RUDZCBJWUDOPTP-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Overview
1-Phenylethyl formate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Names & identifiers
- Preferred name
- alpha-Methylbenzyl formate
- IUPAC
- 1-phenylethyl formate
- English name
- 1-phenylethyl formate
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
1-Phenylethyl formateStyralyl formate7775-38-4alpha-Methylbenzyl formate1-Phenyl-1-ethyl formatealpha-Phenylethyl formateFEMA No. 2688Methylphenylcarbinyl formatealpha-Methylbenzyl methanoate1-Phenyl-1-ethyl methanoate3W5QCG0H58Benzyl alcohol, alpha-methyl-, formate
Show more names
Formic acid 1-phenylethyl esterSTYRALLYL FORMATE1-Phenethyl formateBenzoyl Peroxide Impurity 14Benzenemethanol, a-methyl-, 1-formateBenzenemethanol, α-methyl-, 1-formate
Benzenemethanol, alpha-methyl-, formatealpha-Methylbenzyl alcohol formatealpha-Methylbenzenemethanol formateEINECS 231-893-7.alpha.-Methylbenzyl formateNSC 404480Benzenemethanol, .alpha.-methyl-, formateBenzenemethanol, alpha-methyl-, 1-formate
Database identifiers
- CAS
7775-38-4- PubChem CID
- 346286
- DTXSID
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
- 11
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.042-1.050
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point198 °C
Refractive Index1.502-1.508
Physical Descriptioncolourless to pale yellow liquid with a strong green-floral, woody-balsamic odour
Physicochemical properties
- Boiling point
- 231.72 °C · 231.72°C (rough estimate)
- Density
- 1.0858 · 1.0858 (rough estimate)
- refractive index
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, .alpha.-methyl-, formate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenemethanol, .alpha.-methyl-, formate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzenemethanol, .alpha.-methyl-, 1-formate: INACTIVE
Applications
Descriptionα-Methylbenzyl formate has the woody odor of mimosa and gardenia with dry notes and a fruity taste. May be prepared by esterification of methylphenylcarbinol with formic acid in the presence of acetic anhydride.
Preparation methods
PreparationBy esterification of methylphenylcarbinol with formic acid in the presence of acetic anhydride.
Suppliers8 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
常州峰海医药科技有限公司13685290895 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…