Amyl cinnamate

C₁₄H₁₈O₂CAS 3487-99-8218.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₈O₂
Molar mass: 218.30 g/mol
Exact mass: 218.1307 Da
Melting point: 310–314 °C
Boiling point: 104–106 °C (at 0.5 Torr)
logP: 3.43Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

3487-99-8

SMILES

CCCCCOC(=O)C=Cc1ccccc1

InChIKey

QDRJCWZGTMRXCL-UHFFFAOYSA-N

InChI

InChI=1S/C14H18O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2-Propenoic acid, 3-phenyl-, pentyl ester
Cinnamic acid, pentyl ester
Pentyl cinnamate
NSC 46140

Work with Amyl cinnamate

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

Butyl cinnamate538-65-891 % similar Propyl cinnamate7778-83-881 % similar Ethyl cinnamate103-36-666 % similar Phenethyl cinnamate103-53-764 % similar Dihexyl maleate16064-83-861 % similar Di-n-octyl maleate2915-53-961 % similar Isobutyl cinnamate122-67-861 % similar Benzyl cinnamate103-41-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cinnamyl isovalerate140-27-2 Cyclohexylphenylacetic acid3894-09-5 cis-3-Hexenyl phenylacetate42436-07-7 4-(4-Methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one54757-47-0 Isoamyl cinnamate7779-65-9

Elsewhere

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