α-Propylcyclohexanemethanol

C10H20OCAS 4352-42-5156.27 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Density
0.905 g/mL (at 17 °C)
Boiling point
112 °C (at 14 Torr)
logP
2.73Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 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
4352-42-5
SMILES
CCCC(O)C1CCCCC1
InChIKey
MTUCYAOJXPTLHZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-2-6-10(11)9-7-4-3-5-8-9/h9-11H,2-8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names
  • Cyclohexanemethanol, alpha-propyl-
  • Cyclohexanemethanol, α-propyl-
  • 1-Butanol, 1-cyclohexyl-
  • 1-Cyclohexyl-1-butanol

Work with α-Propylcyclohexanemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-3-hexanol617-29-854 % similar Etohexadiol94-96-254 % similar Decan-4-ol2051-31-248 % similar Propylcyclohexane1678-92-846 % similar 4-Methyl-5-nonanol154170-44-245 % similar 4-Nonanol5932-79-644 % similar (±)-2-Dodecanol10203-28-843 % similar (±)-2-Decanol1120-06-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexyl vinyl ether103-44-6 Citronellol106-22-9 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7 Menthol1490-04-6 (+)-Menthol15356-60-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook