3-Butyn-1-ol
Properties
- Molecular formula
- C4H6O
- Molar mass
- 70.09 g/mol
- Exact mass
- 70.0419 Da
- Density
- 0.9236 g/mL (at 20 °C)
- Melting point
- −63.6 °C
- Boiling point
- 129 °C
- logP
- 0.00Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation96.2% of notifiers
Aggregated from 106 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, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
927-74-2SMILES
C#CCCOInChIKey
OTJZCIYGRUNXTP-UHFFFAOYSA-NInChI
InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 4-Hydroxy-1-butyne
- 3-Butynyl alcohol
- 1-Hydroxy-3-butyne
- NSC 9708
- 3-Butyn-1-yl alcohol
- 1-Butyn-4-ol
- (2-Hydroxyethyl)acetylene
- 3-Butynol
Work with 3-Butyn-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-Pentyn-1-ol5390-04-567 % similar
5-Hexyn-1-ol928-90-563 % similar
10-Undecyn-1-ol2774-84-760 % similar
6-Heptyn-1-ol63478-76-260 % similar
7-Octyn-1-ol871-91-060 % similar
1,5-Hexadiyne628-16-053 % similar
1,6-Heptadiyne2396-63-647 % similar
1,7-Octadiyne871-84-147 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.