4-(1-Methylethyl)cyclohexanecarboxylic acid
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- Melting point
- 94 °C
- Boiling point
- 133 °C (at 2.5 Torr)
- logP
- 2.53Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
62067-45-2SMILES
CC(C)C1CCC(C(=O)O)CC1InChIKey
YRQKWRUZZCBSIG-UHFFFAOYSA-NInChI
InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Cyclohexanecarboxylic acid, 4-(1-methylethyl)-
- Cyclohexanecarboxylic acid, 4-isopropyl-
- 4-Isopropylcyclohexanecarboxylic acid
- NSC 28951
Work with 4-(1-Methylethyl)cyclohexanecarboxylic 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
1,4-Cyclohexanedicarboxylic acid1076-97-765 % similar
Cyclopropanecarboxylic acid1759-53-165 % similar
1,4-Cyclohexanedicarboxylic acid619-81-865 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-965 % similar
trans-4-Methylcyclohexanecarboxylic acid13064-83-063 % similar
4-Methylcyclohexanecarboxylic acid4331-54-863 % similar
(Trans,trans)-4′-Ethyl[1,1′-bicyclohexyl]-4-carboxylic acid84976-67-058 % similar
(Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.