Allyl alcohol
Properties
- Molecular formula
- C3H6O
- Molar mass
- 58.08 g/mol
- Exact mass
- 58.0419 Da
- Density
- 0.854 g/mL (at 20 °C)
- Melting point
- −129 °C
- Boiling point
- 97 °C
- pKa
- 15.5 (25 °C)
- Flash point
- 21.1 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.16Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H319 Causes serious eye irritationSerious eye damage/eye irritation
- H331 Toxic if inhaledAcute toxicity, inhalation
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 603-015-00-6), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
107-18-6SMILES
C=CCOInChIKey
XXROGKLTLUQVRX-UHFFFAOYSA-NInChI
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- 2-Propen-1-ol
- Vinylcarbinol
- 1-Propen-3-ol
- 3-Hydroxypropene
- 2-Propenyl alcohol
- 2-Propenol
- Shell unkrauttod A
- Allylic alcohol
- 3-Hydroxy-1-propene
- 1-Hydroxy-2-propene
- NSC 6526
- Prop-2-ene-1-ol
- Prop-2-en1-ol
Reactions
Work with Allyl alcohol
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
Allyl alcohol-styrene copolymer25119-62-450 % similar
3-Buten-1-ol627-27-044 % similar
2-Butene-1,4-diol110-64-540 % similar
1,4-Pentadiene591-93-540 % similar
1,5-Hexadiene592-42-740 % similar
cis-Butene-1,4-diol6117-80-240 % similar
4-Penten-1-ol821-09-040 % similar
trans-2-Butene-1,4-diol821-11-440 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.