3-Butyn-2-ol

C₄H₆OCAS 2028-63-970.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆O
Molar mass: 70.09 g/mol
Exact mass: 70.0419 Da
Density: 0.8858 g/mL (at 20 °C)
Melting point: −3 °C
Boiling point: 106.5 °C
logP: 0.00Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor68.8% of notifiers
H226 Flammable liquid and vapor31.2% of notifiers
H300 Fatal if swallowed98.1% of notifiers
H310 Fatal in contact with skin73.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage68.8% of notifiers
H319 Causes serious eye irritation31.2% of notifiers
H330 Fatal if inhaled71.3% of notifiers
H412 Harmful to aquatic life with long lasting effects71.3% of notifiers

Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2028-63-9

SMILES

C#CC(C)O

InChIKey

GKPOMITUDGXOSB-UHFFFAOYSA-N

InChI

InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all

Methyl ethynyl carbinol
1-Butyn-3-ol
1-Methyl-2-propyn-1-ol
3-Methyl-1-propyn-3-ol
3-Hydroxy-1-butyne
α-Methylpropargyl alcohol
1-Methylpropargyl alcohol
1-Methyl-2-propynyl alcohol
2-Hydroxy-3-butyne
(±)-But-1-yn-3-ol
(±)-3-Butyn-2-ol
(RS)-1-Butyn-3-ol
DL-1-Butyn-3-ol
NSC 222370

Work with 3-Butyn-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-(-)-1-Butyn-3-ol2914-69-4Defined stereoisomer (+)-1-Butyn-3-ol42969-65-3Defined stereoisomer 3-Butyn-2-ol65337-13-5

Similar compounds

3-Hexyne-2,5-diol3031-66-150 % similar Lactonitrile78-97-743 % similar Penta-1,4-diyn-3-ol56598-53-942 % similar 3-Methylbut-1-yne598-23-242 % similar 1-Pentyn-3-ol4187-86-438 % similar 3-Hexyn-2-ol109-50-236 % similar 4-Trimethylsilyl-3-butyn-2-ol6999-19-536 % similar 1-Hexyn-3-ol105-31-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Divinyl ether109-93-3 Cyclobutanone1191-95-3 2,3-Dihydrofuran1191-99-7 trans-Crotonaldehyde123-73-9 Cyclopropanecarboxaldehyde1489-69-6 2,5-Dihydrofuran1708-29-8 Crotonaldehyde4170-30-3

Elsewhere

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