Cyclohexanebutanoic acid
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- Density
- 0.9693 g/mL (at 38 °C)
- Melting point
- 29–30 °C
- Boiling point
- 132–134 °C (at 3 Torr)
- logP
- 2.82Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation32.3% of notifiers
Aggregated from 133 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
4441-63-8SMILES
O=C(O)CCCC1CCCCC1InChIKey
UVZMNGNFERVGRC-UHFFFAOYSA-NInChI
InChI=1S/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Cyclohexanebutyric acid
- 4-Cyclohexylbutyric acid
- 4-Cyclohexylbutanoic acid
- NSC 2158
- NSC 406925
Work with Cyclohexanebutanoic 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
Cyclohexanepropanoic acid701-97-383 % similar
Cypionic acid140-77-278 % similar
Cyclohexaneacetic acid5292-21-764 % similar
Pimelic acid111-16-064 % similar
Sebacic acid111-20-664 % similar
Azelaic acid123-99-964 % similar
Pentadecanedioic acid1460-18-064 % similar
Undecanedioic acid1852-04-664 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.