Cinnamyl phenylacetate
Basic information
- CAS
133871-04-2- Standard SMILES
O=C(Cc1ccccc1)OC/C=C/c1ccccc1- InChIKey
SFXQCOMMEMBETJ-KPKJPENVSA-N- Molecular formula
- C17H16O2
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.11502975
Overview
Cinnamyl phenylacetate is a member of styrenes.
Names & identifiers
- Preferred name
- Cinnamyl phenylacetate
- IUPAC
- [(E)-3-phenylprop-2-enyl] 2-phenylacetate
Names & synonyms
Cinnamyl phenylacetate7492-65-1Cinnamyl alpha-toluate3-Phenylallyl phenylacetateFEMA No. 2300Benzeneacetic acid, 3-phenyl-2-propenyl esterCinnamylalphatoluateRZS01F7HF13-Phenyl-2-propenyl benzeneacetateEINECS 231-322-1133871-04-2Acetic acid, phenyl-, cinnamyl ester
Show more names
3-Phenyl-2-propen-1-yl phenylacetateAI3-36589Cinnamyl phenylacetate [FIFH]Benzeneacetic acid, (2E)-3-phenyl-2-propenyl esterBenzeneacetic acid, 3-phenyl-2-propenyl ester, (E)-Benzeneacetic acid, (2E)-3-phenyl-2-propen-1-yl esterCinnamyl phenylacetate (FIFH)DTXSID70864075
Database identifiers
- CAS
133871-04-2、7492-65-1- PubChem CID
- 5370599
- DTXSID
DTXSID301021199- ChEBI
CHEBI:174333- UNII
- RZS01F7HF1
- EC Number
- 231-322-1
- Nikkaji
- J1.280.270F、J278.887J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.089-1.095
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
miscible (in ethanol)
Boiling Point333-335 °C
Refractive Index1.575-1.581
Physical DescriptionColourless, slightly viscous liquid, deep chrysanthemum-like odour
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneacetic acid, 3-phenyl-2-propenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 3-phenyl-2-propenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, 3-phenyl-2-propenyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…