3-Methyl-2-phenylbutanoic acid
Properties
- Molecular formula
- C11H14O2
- Molar mass
- 178.23 g/mol
- Exact mass
- 178.0994 Da
- Melting point
- 62–63 °C
- Boiling point
- 145–147 °C (at 10 Torr)
- logP
- 2.51Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H315 Causes skin irritation11.4% of notifiers
- H318 Causes serious eye damage88.6% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P332+P317, P342+P316, P362+P364, P403, P501
Identifiers
CAS number
3508-94-9SMILES
CC(C)C(C(=O)O)c1ccccc1InChIKey
HDLQGISFYDYWFJ-UHFFFAOYSA-NInChI
InChI=1S/C11H14O2/c1-8(2)10(11(12)13)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzeneacetic acid, α-(1-methylethyl)-
- Butyric acid, 3-methyl-2-phenyl-
- α-(1-Methylethyl)benzeneacetic acid
- 3-Methyl-2-phenylbutyric acid
- α-Isopropylphenylacetic acid
- (RS)-2-Phenyl-3-methylbutanoic acid
- (±)-α-Isopropylphenylacetic acid
- (±)-2-Phenyl-3-methylbutyric acid
- NSC 22982
- 2-Phenyl-3-methylbutanoic acid
- 2-Isopropyl-2-phenylacetic acid
Work with 3-Methyl-2-phenylbutanoic acid
Similar compounds
2-(4-Chlorophenyl)-3-methylbutyric acid2012-74-069 % similar
2-Phenylpropionic acid492-37-561 % similar
(+)-2-Phenylpropionic acid7782-24-361 % similar
(-)-2-Phenylpropionic acid7782-26-561 % similar
2-Cyclopentyl-2-phenylacetic acid3900-93-459 % similar
Cyclohexylphenylacetic acid3894-09-557 % similar
Diphenylacetic acid117-34-057 % similar
Phenylmalonic acid2613-89-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds