2-Hexynoic acid
Properties
- Molecular formula
- C6H8O2
- Molar mass
- 112.13 g/mol
- Exact mass
- 112.0524 Da
- Melting point
- 27 °C
- Boiling point
- 119–120 °C (at 16 Torr)
- logP
- 0.87Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed91.8% of notifiers
- H319 Causes serious eye irritation91.8% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled91.8% of notifiers
Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, P501
Identifiers
CAS number
764-33-0SMILES
CCCC#CC(=O)OInChIKey
AKYAUBWOTZJUBI-UHFFFAOYSA-NInChI
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-3H2,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Hexynoic acid
Similar compounds
2-Octynoic acid5663-96-774 % similar
Acetylenedicarboxylic acid142-45-048 % similar
Tetrolic acid590-93-244 % similar
4-Octyne1942-45-643 % similar
3-(Trimethylsilyl)propiolic acid5683-31-840 % similar
3-Heptyn-1-ol14916-79-139 % similar
Hex-2-yn-1-ol764-60-339 % similar
4-Nonyne20184-91-237 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.