Prenol
Properties
- Molecular formula
- C5H10O
- Molar mass
- 86.13 g/mol
- Exact mass
- 86.0732 Da
- Density
- 0.8689 g/mL (at 21 °C)
- Melting point
- 59–60 °C
- Boiling point
- 140 °C
- Flash point
- 50 °C (closed cup)
- Water solubility
- 170 g/L (20 °C)
- logP
- 0.94Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage97.4% of notifiers
- H315 Causes skin irritation23.5% of notifiers
- H318 Causes serious eye damage88% of notifiers
- H319 Causes serious eye irritation23.5% of notifiers
Aggregated from 1,853 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
556-82-1SMILES
CC(C)=CCOInChIKey
ASUAYTHWZCLXAN-UHFFFAOYSA-NInChI
InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- 2-Buten-1-ol, 3-methyl-
- 3-Methyl-2-buten-1-ol
- γ,γ-Dimethylallyl alcohol
- 3-Methyl-2-butene-1-ol
- 3-Methyl-2-butenyl alcohol
- 3,3-Dimethylallyl alcohol
- Prenyl alcohol
- 3-Methyl-2-butenol
- Dimethylallyl alcohol
- 3-Methylcrotyl alcohol
- 2-Methyl-2-buten-4-ol
- NSC 158709
- Isopent-2-en-1-ol
- Isopentenol
Work with Prenol
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
Geraniol106-24-158 % similar
Nerol106-25-258 % similar
Farnesol106-28-556 % similar
Solanesol13190-97-156 % similar
Geranylgeraniol24034-73-956 % similar
Farnesol4602-84-056 % similar
2,7-Dimethyl-2,6-octadiene16736-42-850 % similar
2-Methyl-2-pentene625-27-445 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.