Cyclohexylphenylacetic acid
Properties
- Molecular formula
- C14H18O2
- Molar mass
- 218.30 g/mol
- Exact mass
- 218.1307 Da
- Melting point
- 150–151 °C
- logP
- 3.44Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3894-09-5SMILES
O=C(O)C(c1ccccc1)C1CCCCC1InChIKey
AAJLPPDFIRPBDA-UHFFFAOYSA-NInChI
InChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Benzeneacetic acid, α-cyclohexyl-
- Cyclohexaneacetic acid, α-phenyl-
- α-Cyclohexylbenzeneacetic acid
- Acetic acid, cyclohexylphenyl-
- 2-Cyclohexyl-2-phenylacetic acid
- α-Cyclohexyl-α-phenylacetic acid
- α-Cyclohexylphenylacetic acid
- α-Phenylcyclohexaneacetic acid
- (±)-Cyclohexylphenylacetic acid
- NSC 60418
Work with Cyclohexylphenylacetic acid
Similar compounds
2-Cyclopentyl-2-phenylacetic acid3900-93-497 % similar
α-Phenyl-2-piperidineacetic acid19395-41-662 % similar
3-Methyl-2-phenylbutanoic acid3508-94-957 % similar
Diphenylacetic acid117-34-052 % similar
Phenylmalonic acid2613-89-052 % similar
2-Phenylpropionic acid492-37-551 % similar
(+)-2-Phenylpropionic acid7782-24-351 % similar
(-)-2-Phenylpropionic acid7782-26-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds