3-Methyl-1-penten-3-ol
Properties
- Molecular formula
- C6H12O
- Molar mass
- 100.16 g/mol
- Exact mass
- 100.0888 Da
- Density
- 0.8378 g/mL (at 20 °C)
- Boiling point
- 115–140 °C
- logP
- 1.33Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
Aggregated from 150 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
918-85-4SMILES
C=CC(C)(O)CCInChIKey
HFYAEUXHCMTPOL-UHFFFAOYSA-NInChI
InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 1-Penten-3-ol, 3-methyl-
- 3-Hydroxy-3-methyl-1-pentene
- Methylethylvinylcarbinol
- 3-Methyl-1-pentene-3-ol
- 1-Ethyl-1-methylallyl alcohol
- (±)-3-Methylpent-1-en-3-ol
- NSC 128156
Work with 3-Methyl-1-penten-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
(-)-Linalool126-91-047 % similar
3,7-Dimethyl-1,6-octadien-3-ol78-70-647 % similar
Ethyl linalool10339-55-646 % similar
Isophytol505-32-841 % similar
2-Methyl-3-buten-2-ol115-18-440 % similar
Geranyllinalool1113-21-938 % similar
trans-Nerolidol40716-66-338 % similar
Nerolidol7212-44-438 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.