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Basic information
- CAS
103-54-8- Standard SMILES
CC(=O)OCC=Cc1ccccc1- InChIKey
WJSDHUCWMSHDCR-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Overview
See also: Cinnamyl Acetate (annotation moved to).
Names & identifiers
- Preferred name
- 3-Phenyl-2-propen-1-yl acetate
- IUPAC
- 3-phenylprop-2-enyl acetate
- English name
- Cinnamyl acetate
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
DTXSID20447653-Phenyl-2-propen-1-yl acetateDTXCID0024765RefChem:10684783-phenylprop-2-enyl acetateCINNAMYLCETATE(Acetoxymethyl)styreneSCHEMBL29600orb1301616orb3140835CHEMBL3185011acetic acid 3-phenyl-allyl ester
Show more names
cinnamylFEMA 2293CINNAMICACETATECinnaMic acid ester3-PHENYLALLYL ACETATEACETIC ACID CINNAMYL ESTERCF-60binsuanguizhiCinnamylacetatCiamyl acetate
s5583AKOS032455783NCGC00248267-01
Database identifiers
- CAS
103-54-8- PubChem CID
- 7660
- DTXSID
DTXSID2044765- ChEMBL
CHEMBL3185011
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Boiling point
- 265 °C · 265 °C(lit.)
- Density
- 1.057 g/mL · 1.057 g/mL at 25 °C
- vapor pressure
- 16 Pa · 16Pa at 20℃
- FEMA
- 2293 · 2293 | CINNAMYL ACETATE
- refractive index
- 20 · n20/D 1.541(lit.)
- FLAVIS Number
- 9.018 · 09.018 | Cinnamyl acetate
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- alcohol: soluble(lit.)
- form
- Liquid
- color
- Colorless to Light yellow
- Odor
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GE2275000
- hs_code
- 29153900
- Toxicity
- The acute oral LD50 in rats was reported to be 3.3 g/kg (2.9-3.7 g/kg) (Moreno, 1972). The acute dermal LD50 was reported to be > 5 g/kg in the rabbit (Moreno, 1972).
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
OccurrenceReported found in melon, starfruit, tarragon and litchi.
UsesCinnamyl Acetate is used in preparation and characterization of cinnamon essential oil nanocapsules and comparison of volatile components and antibacterial ability of cinnamon essential oil before and after encapsulation.
UsesPerfumery (fixative), flavoring.
General DescriptionCinnamyl acetate is a fragrance ingredient. Palladium catalyzed allylic alkylation of cinnamyl acetate using sodium diethyl 2-methylmalonate and novel ferrocenyl Schiff base has been investigated.
Preparation methods
PreparationBy direct esterification of cinnamic alcohol with acetic acid (or anhydride) under azeotropic conditions (Arctander, 1969).
Upstream & downstream products
Upstream raw materials
Related reactions
9 records
Compound notes
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