Citronellol

C₁₀H₂₀OCAS 106-22-9156.27 g/mol

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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
logP: 2.75Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Identifiers

CAS number

106-22-9

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

Similar compounds

Citronellol26489-01-0100 % similar L-Citronellol7540-51-4100 % similar Citronellyl formate105-85-157 % similar 3-Methyl-1,5-pentanediol4457-71-056 % similar Citronellal106-23-055 % similar (R)-Citronellal2385-77-555 % similar Citronellyl nitrile51566-62-255 % similar (S)-Citronellal5949-05-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethylhexyl vinyl ether103-44-6 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7 Menthol1490-04-6 (+)-Menthol15356-60-2 (±)-Menthol15356-70-4

Elsewhere

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