Nerol
Properties
- Molecular formula
- C10H18O
- Molar mass
- 154.25 g/mol
- Exact mass
- 154.1358 Da
- Density
- 0.8756 g/mL (at 20 °C)
- Melting point
- below −15 °C
- Boiling point
- 225 °C
- Flash point
- 107.78 °C (closed cup)
- Water solubility
- 1.31 g/L (25 °C)
- logP
- 2.67Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Danger
- H315 Causes skin irritation97% of notifiers
- H317 May cause an allergic skin reaction78.6% of notifiers
- H318 Causes serious eye damage63.7% of notifiers
- H319 Causes serious eye irritation33% of notifiers
Aggregated from 2,141 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
106-25-2SMILES
CC(C)=CCC/C(C)=CCOInChIKey
GLZPCOQZEFWAFX-YFHOEESVSA-NInChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-
- cis-1-Hydroxy-3,7-dimethyl-2,6-octadiene
- (Z)-3,7-Dimethyloct-2,6-diene-1-ol
- (Z)-3,7-Dimethylocta-2,6-dien-1-ol
- 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
- (2Z)-3,7-Dimethyl-2,6-octadien-1-ol
- cis-3,7-Dimethyl-2,6-octadien-1-ol
- cis-Geraniol
- Neryl alcohol
- β-Nerol
- (Z)-Geraniol
- (Z)-3,7-Dimethyl-2,6-octadien-1-ol
- 3,7-Dimethyl-cis-2,6-octadien-1-ol
- (Z)-Nerol
- 2-cis-3,7-Dimethyl-2,6-octadien-1-ol
- Nerol 900
- (Z)-3,7-Dimethyl-2,6-octadienol
Work with Nerol
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.
Similar compounds
Farnesol106-28-596 % similar
Solanesol13190-97-196 % similar
Geranylgeraniol24034-73-996 % similar
Farnesol4602-84-096 % similar
Squalene111-02-468 % similar
Squalene7683-64-968 % similar
Thiogeraniol39067-80-659 % similar
Geranyl chloride5389-87-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.