(-)-Linalool

C10H18OCAS 126-91-0154.25 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Density
0.8657 g/mL (at 20 °C)
Boiling point
80 °C
logP
2.67Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 603-235-00-2[3]), via PubChem.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
126-91-0
SMILES
C=C[C@](C)(O)CCC=C(C)C
InChIKey
CDOSHBSSFJOMGT-JTQLQIEISA-N
InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, (R)-(-)-
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, (R)-
  • (3R)-3,7-Dimethyl-1,6-octadien-3-ol
  • (-)-3,7-Dimethyl-1,6-octadien-3-ol
  • Licareol
  • l-Licareol
  • l-Linalool
  • (R)-Linalool
  • (3R)-(-)-Linalool
  • (R)-(-)-Linalool
  • (-)-(3R)-Linalool
  • (-)-Licareol
  • (3R)-Linalool
  • (-)-β-Linalool
  • (3R)-3,7-Dimethylocta-1,6-dien-3-ol

Work with (-)-Linalool

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.

3,7-Dimethyl-1,6-octadien-3-ol78-70-6Stereo not defined

Similar compounds

Geranyllinalool1113-21-979 % similar trans-Nerolidol40716-66-379 % similar Nerolidol7212-44-479 % similar Ethyl linalool10339-55-666 % similar Dihydrolinalool18479-51-147 % similar 3-Methyl-1-penten-3-ol918-85-447 % similar Linalyl acetate115-95-746 % similar Linalyl propionate144-39-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citric106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 Menthone14073-97-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook