Citronellol

C10H20OCAS 26489-01-0156.27 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Density
0.867–0.869 g/mL (at 10 °C)
Melting point
below 25 °C
Boiling point
224.5 °C
Water solubility
200 mg/L (25 °C)
logP
2.75Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 1,657 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number
26489-01-0
SMILES
CC(C)=CCCC(C)CCO
InChIKey
QMVPMAAFGQKVCJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3

Weigh it out

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

Names and synonyms

17 names · show all
  • 6-Octen-1-ol, 3,7-dimethyl-
  • 3,7-Dimethyl-6-octen-1-ol
  • Rodinol
  • β-Citronellol
  • 2,6-Dimethyl-2-octen-8-ol
  • Cephrol
  • 2,3-Dihydrogeraniol
  • (±)-3,7-Dimethyl-6-octen-1-ol
  • (±)-Citronellol
  • Dl-Citronellol
  • (±)-β-Citronellol
  • Dihydrogeraniol
  • Citronellol 950
  • NSC 8779
  • Citronellol AJ
  • 1-Hydroxy-3,7-dimethyl-6-octene
  • NCCF 3000

Work with Citronellol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

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.

(+)-Citronellol1117-61-9Defined stereoisomer L-Citronellol7540-51-4Defined stereoisomer Citronellol106-22-9

Similar compounds

Citronellyl formate105-85-157 % similar 3-Methyl-1,5-pentanediol4457-71-056 % similar Citric106-23-055 % similar (R)-Citronellal2385-77-555 % similar Citronellyl nitrile51566-62-255 % similar (S)-(-)-Citronellal5949-05-355 % similar Citronellic acid502-47-654 % similar Citronellyl acetate150-84-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

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