2,5-Dimethyl-3-hexanol
Properties
- Molecular formula
- C8H18O
- Molar mass
- 130.23 g/mol
- Exact mass
- 130.1358 Da
- Density
- 0.8212 g/mL (at 20 °C)
- Boiling point
- 157.5 °C
- logP
- 2.05Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H315 Causes skin irritation97.7% of notifiers
- H318 Causes serious eye damage88.4% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
19550-07-3SMILES
CC(C)CC(O)C(C)CInChIKey
SNKTZHPOKPYBPT-UHFFFAOYSA-NInChI
InChI=1S/C8H18O/c1-6(2)5-8(9)7(3)4/h6-9H,5H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 3-Hexanol, 2,5-dimethyl-
- 2,5-Dimethyl-3-hexyl alcohol
- NSC 95420
- 2,5-Dimethylhexan-3-ol
Work with 2,5-Dimethyl-3-hexanol
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
2-Methylpentan-3-ol565-67-350 % similar
2-Methyl-3-hexanol617-29-848 % similar
2,6-Dimethyl-4-heptanol108-82-748 % similar
4-Methyl-2-pentanol108-11-245 % similar
(2R)-4-Methylpentan-2-ol16404-54-945 % similar
2,4-Dimethylpentane108-08-744 % similar
Menthol1490-04-639 % similar
(+)-Menthol15356-60-239 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.