2-Benzylacrylic acid
Properties
- Molecular formula
- C10H10O2
- Molar mass
- 162.19 g/mol
- Exact mass
- 162.0681 Da
- Melting point
- 68–69 °C
- Boiling point
- 170–174 °C (at 20 Torr)
- logP
- 1.87Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H301 Toxic if swallowed12.5% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation87.5% of notifiers
- H335 May cause respiratory irritation62.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5669-19-2SMILES
C=C(Cc1ccccc1)C(=O)OInChIKey
RYNDYESLUKWOEE-UHFFFAOYSA-NInChI
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenepropanoic acid, α-methylene-
- Hydrocinnamic acid, α-methylene-
- α-Methylenebenzenepropanoic acid
- α-Benzylacrylic acid
- 2-Methylene-3-phenylpropanoic acid
- NSC 192640
- 2-Benzylprop-2-enoic acid
Work with 2-Benzylacrylic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Phenylpyruvic acid156-06-961 % similar
Methyl 2-benzylprop-2-enoate3070-71-153 % similar
Phenylacetic acid103-82-252 % similar
α-Oxobenzenebutanoic acid710-11-250 % similar
α-Phenylacrylic acid492-38-648 % similar
Dibenzyl ketone102-04-547 % similar
1-Hydroxy-3-phenylpropan-2-one4982-08-544 % similar
2-(Bromomethyl)acrylic acid72707-66-544 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.