2-Methylbut-3-yn-2-ol
Properties
- Molecular formula
- C5H8O
- Molar mass
- 84.12 g/mol
- Exact mass
- 84.0575 Da
- Density
- 0.8637 g/mL (at 15.5 °C)
- Melting point
- 3 °C
- Boiling point
- 104 °C
- Flash point
- 20 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.39Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor62.8% of notifiers
- H226 Flammable liquid and vapor30.2% of notifiers
- H302 Harmful if swallowed94.2% of notifiers
- H315 Causes skin irritation12% of notifiers
- H318 Causes serious eye damage77.8% of notifiers
- H319 Causes serious eye irritation16.6% of notifiers
- H335 May cause respiratory irritation33% of notifiers
- H336 May cause drowsiness or dizziness13.2% of notifiers
- H361 Suspected of damaging fertility or the unborn child27.8% of notifiers
Aggregated from 500 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
115-19-5SMILES
C#CC(C)(C)OInChIKey
CEBKHWWANWSNTI-UHFFFAOYSA-NInChI
InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
28 names · show all
- 3-Butyn-2-ol, 2-methyl-
- 2-Propyn-1-ol, 1,1-dimethyl-
- 2-Methyl-3-butyn-2-ol
- Dimethylethynylcarbinol
- 2-Hydroxy-2-methyl-3-butyne
- Dimethylacetylenecarbinol
- Ethynyldimethylcarbinol
- α,α-Dimethylpropargyl alcohol
- 1,1-Dimethyl-2-propyn-1-ol
- 1,1-Dimethyl-2-propynol
- Dimethylethynylmethanol
- 1,1-Dimethylpropargyl alcohol
- Dimethylacetylenylcarbinol
- AB 32
- 2-Methyl-2-hydroxy-3-butyne
- 3-Methyl-3-hydroxy-1-butyne
- Olfine B
- 3-Hydroxy-3-methyl-1-butyne
- 3-Methyl-1-butyn-3-ol
- AB 32 (alcohol)
- 2-Methyl-3-butyne-2-ol
- (1-Hydroxy-1-methylethyl)acetylene
- 3-Methyl-3-hydroxybutyne
- NSC 523
- 2-Ethynyl-2-propanol
- Mebynol
- 3-Methyl-1-butyne-3-ol
- 2-Methy-3-butyn-2-ol
Reactions
Work with 2-Methylbut-3-yn-2-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
2,5-Dimethyl-3-hexyne-2,5-diol142-30-350 % similar
2,7-Dimethylocta-3,5-diyne-2,7-diol5929-72-645 % similar
Acetone cyanohydrin75-86-543 % similar
3,3-Dimethyl-1-butyne917-92-042 % similar
3,4-Dimethyl-1-pentyn-3-ol1482-15-140 % similar
3-Methyl-1-pentyn-3-ol77-75-840 % similar
3-Methyl-1-penten-4-yn-3-ol3230-69-138 % similar
3-Ethyl-1-pentyn-3-ol6285-06-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.