2,6-Dimethyl-4-heptanol
Properties
- Molecular formula
- C9H20O
- Molar mass
- 144.26 g/mol
- Exact mass
- 144.1514 Da
- Density
- 0.809 g/mL (at 21 °C)
- Melting point
- −65 °C
- Boiling point
- 176–177 °C
- Flash point
- 72.2 °C
- logP
- 2.44Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H319 Causes serious eye irritation12.5% of notifiers
- H335 May cause respiratory irritation10.9% of notifiers
- H336 May cause drowsiness or dizziness11.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects12.9% of notifiers
Aggregated from 1,841 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, P501
Identifiers
CAS number
108-82-7SMILES
CC(C)CC(O)CC(C)CInChIKey
HXQPUEQDBSPXTE-UHFFFAOYSA-NInChI
InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 4-Heptanol, 2,6-dimethyl-
- Diisobutylcarbinol
- 2,6-Dimethyl-4-heptyl alcohol
- NSC 62683
- Diisobutylmethanol
Work with 2,6-Dimethyl-4-heptanol
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
2,6,8-Trimethyl-4-nonanol123-17-174 % similar
2,4-Dimethylpentane108-08-753 % similar
1,3,5-Cyclohexanetriol2041-15-853 % similar
4-Methyl-2-pentanol108-11-253 % similar
(2R)-4-Methylpentan-2-ol16404-54-953 % similar
3,5-Dimethylcyclohexanol5441-52-153 % similar
2,5-Dimethyl-3-hexanol19550-07-348 % similar
1,3-Dimethylbutylamine108-09-845 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds