3-Octanol
Properties
- Molecular formula
- C8H18O
- Molar mass
- 130.23 g/mol
- Exact mass
- 130.1358 Da
- Density
- 0.8279 g/mL (at 15 °C)
- Melting point
- −45 °C
- Boiling point
- 171 °C
- logP
- 2.34Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation93.7% of notifiers
- H319 Causes serious eye irritation91.7% of notifiers
Aggregated from 1,653 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
20296-29-1SMILES
CCCCCC(O)CCInChIKey
NMRPBPVERJPACX-UHFFFAOYSA-NInChI
InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Ethylamylcarbinol
- n-Octan-3-ol
- 1-Ethyl-1-hexanol
- (±)-3-Octanol
- DL-3-Octanol
- Octan-3-ol
Work with 3-Octanol
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
3-Decanol1565-81-795 % similar
3-Nonanol624-51-195 % similar
3-Heptanol589-82-286 % similar
6-Undecanol23708-56-776 % similar
4-Nonanol5932-79-670 % similar
3-Hexanol623-37-068 % similar
Decan-4-ol2051-31-267 % similar
Nonan-5-ol623-93-864 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.