3-Buten-1-ol
Properties
- Molecular formula
- C4H8O
- Molar mass
- 72.11 g/mol
- Exact mass
- 72.0575 Da
- Density
- 0.848 g/mL (at 17 °C)
- Boiling point
- 113.5 °C
- logP
- 0.55Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation99% of notifiers
- H318 Causes serious eye damage54.9% of notifiers
- H319 Causes serious eye irritation45.1% of notifiers
- H335 May cause respiratory irritation44.6% of notifiers
- H411 Toxic to aquatic life with long lasting effects53.9% of notifiers
Aggregated from 193 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
627-27-0SMILES
C=CCCOInChIKey
ZSPTYLOMNJNZNG-UHFFFAOYSA-NInChI
InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 1-Buten-4-ol
- 3-Butenyl alcohol
- Allylcarbinol
- 1-Hydroxy-3-butene
- Homoallyl alcohol
- 4-Hydroxy-1-butene
- β-Vinylethanol
- NSC 60194
- But-3-en-1-ol
Work with 3-Buten-1-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
4-Penten-1-ol821-09-067 % similar
5-Hexen-1-ol821-41-063 % similar
10-Undecen-1-ol112-43-660 % similar
9-Decen-1-ol13019-22-260 % similar
1,5-Hexadiene592-42-753 % similar
1,6-Heptadiene3070-53-947 % similar
1,7-Octadiene3710-30-347 % similar
Allyl alcohol107-18-644 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.