2-Pentyn-1-ol
Properties
- Molecular formula
- C5H8O
- Molar mass
- 84.12 g/mol
- Exact mass
- 84.0575 Da
- Density
- 0.9091 g/mL (at 20 °C)
- Boiling point
- 0.154–4.2 °C
- logP
- 0.39Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor97.8% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
6261-22-9SMILES
CCC#CCOInChIKey
WLPYSOCRPHTIDZ-UHFFFAOYSA-NInChI
InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 2-Pentynol
- 2-Pentynyl alcohol
Work with 2-Pentyn-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
1,4-Butynediol110-65-660 % similar
3-Hexyne928-49-460 % similar
3-Hexyn-1-ol1002-28-452 % similar
Hex-2-yn-1-ol764-60-352 % similar
2-Heptyn-1-ol1002-36-448 % similar
2-Octyn-1-ol20739-58-646 % similar
3,9-Dodecadiyne61827-89-245 % similar
2-Butyn-1-ol764-01-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.