Allyl phenylacetate

C₁₁H₁₂O₂CAS 1797-74-6176.22 g/mol

Open in Covalent MOL file

Alkene Ester

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.22 g/mol
Exact mass: 176.0837 Da
Density: 1.033–1.041 g/mL
logP: 1.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H311 Toxic in contact with skin97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.5% of notifiers
H319 Causes serious eye irritation> 99.9% of notifiers

Aggregated from 1,574 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

1797-74-6

SMILES

C=CCOC(=O)Cc1ccccc1

InChIKey

ZCDYAMJXVAUTIM-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2

Weigh it out

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

Names and synonyms

6 names

Benzeneacetic acid, 2-propen-1-yl ester
Acetic acid, phenyl-, allyl ester
Benzeneacetic acid, 2-propenyl ester
2-Propen-1-yl benzeneacetate
NSC 6574
Allyl 2-phenylethanoate

Work with Allyl phenylacetate

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

Allyl phenoxyacetate7493-74-562 % similar Benzyl phenylacetate102-16-961 % similar Phenylethyl phenylacetate102-20-559 % similar Diallyl phthalate131-17-959 % similar Ethyl phenylacetate101-97-357 % similar Isobutyl phenylacetate102-13-653 % similar Methyl phenylacetate101-41-751 % similar Diallyl terephthalate1026-92-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 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 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4 2-Methyl-1-phenyl-3-butyne-1,2-diol2033-94-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia