Cinnamyl acetate

C11H12O2CAS 103-54-8176.22 g/mol

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OO
AlkeneEster

Properties

Molecular formula
C11H12O2
Molar mass
176.22 g/mol
Exact mass
176.0837 Da
Melting point
30 °C
Boiling point
142–144 °C (at 12 Torr)
logP
2.26Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
103-54-8
SMILES
CC(=O)OCC=Cc1ccccc1
InChIKey
WJSDHUCWMSHDCR-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3

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Names and synonyms

12 names
  • 2-Propen-1-ol, 3-phenyl-, 1-acetate
  • Cinnamyl alcohol, acetate
  • 2-Propen-1-ol, 3-phenyl-, acetate
  • γ-Phenylallyl acetate
  • 3-Phenyl-2-propen-1-yl acetate
  • 3-Phenyl-2-propenyl acetate
  • 3-Phenylallyl acetate
  • 1-Acetoxy-3-phenyl-2-propene
  • 3-Phenyl-2-propen-1-ol acetate
  • NSC 46109
  • Acetic acid 3-phenyl-2-propenyl ester
  • Acetic acid cinnamyl ester

Work with Cinnamyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cinnamyl propionate103-56-062 % similar Cinnamyl cinnamate122-69-061 % similar Cinnamyl isobutyrate103-59-361 % similar Cinnamyl butyrate103-61-759 % similar Cinnamyl isovalerate140-27-257 % similar cis-1,4-Diacetoxy-2-butene25260-60-057 % similar Benzyl acetate140-11-451 % similar 2-(Acetyloxy)-1-phenylethanone2243-35-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5

Elsewhere

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