3-Ethylhexan-3-ol
Properties
- Molecular formula
- C8H18O
- Molar mass
- 130.23 g/mol
- Exact mass
- 130.1358 Da
- Boiling point
- 160 °C
- logP
- 2.34Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
597-76-2SMILES
CCCC(O)(CC)CCInChIKey
WNDLTOTUHMHNOC-UHFFFAOYSA-NInChI
InChI=1S/C8H18O/c1-4-7-8(9,5-2)6-3/h9H,4-7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 3-Ethyl-3-hexanol
- 3-Hexanol, 3-ethyl-
- 1,1-Diethyl-1-butanol
- 1,1-Diethylbutanol
- NSC 28044
Work with 3-Ethylhexan-3-ol
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
3-Ethyl-3-pentanol597-49-961 % similar
1-Ethylcyclopentanol1462-96-057 % similar
1-Ethylcyclohexanol1940-18-755 % similar
2-Methylpentan-2-ol590-36-343 % similar
3-Methyl-3-heptanol5582-82-141 % similar
3-Methyl-3-octanol5340-36-339 % similar
4,7-Dimethyl-5-decyn-4,7-diol126-87-438 % similar
3-Methyl-3-nonanol21078-72-838 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds