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), 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. All similar compounds