(+)-Citronellol

C₁₀H₂₀OCAS 1117-61-9156.27 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₁₀H₂₀O
Molar mass: 156.27 g/mol
Exact mass: 156.1514 Da
Density: 0.8568 g/mL (at 20 °C)
Melting point: 225–226 °C
Boiling point: 110 °C (at 10 Torr)
logP: 2.75Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction86% of notifiers
H319 Causes serious eye irritation36.2% of notifiers
H335 May cause respiratory irritation14% of notifiers

Aggregated from 279 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1117-61-9

SMILES

CC(C)=CCC[C@@H](C)CCO

InChIKey

QMVPMAAFGQKVCJ-SNVBAGLBSA-N

InChI

InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

6-Octen-1-ol, 3,7-dimethyl-, (3R)-
6-Octen-1-ol, 3,7-dimethyl-, (R)-(+)-
6-Octen-1-ol, 3,7-dimethyl-, (R)-
(3R)-3,7-Dimethyl-6-octen-1-ol
D-Citronellol
(R)-Citronellol
(R)-(+)-Citronellol
(R)-(+)-β-Citronellol
(+)-(R)-Citronellol
(+)-β-Citronellol
(R)-β-Citronellol
(R)-(+)-3,7-Dimethyl-6-octen-1-ol
(R)-3,7-Dimethyl-6-octen-1-ol
(3R)-(+)-β-Citronellol
(3R)-3,7-Dimethyloct-6-en-1-ol
Beta-CITRONELLOL, (R)-

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 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.

L-Citronellol7540-51-4Enantiomer Citronellol106-22-9Stereo not defined Citronellol26489-01-0Stereo not defined

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 (±)-Menthol15356-70-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook