5-Hexynoic acid
Properties
- Molecular formula
- C6H8O2
- Molar mass
- 112.13 g/mol
- Exact mass
- 112.0524 Da
- Density
- 1.0372 g/mL (at 20 °C)
- Boiling point
- 135 °C (at 14 Torr)
- logP
- 0.87Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H314 Causes severe skin burns and eye damage21.8% of notifiers
- H315 Causes skin irritation74.5% of notifiers
- H319 Causes serious eye irritation74.5% of notifiers
- H335 May cause respiratory irritation74.5% of notifiers
Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
53293-00-8SMILES
C#CCCCC(=O)OInChIKey
VPFMEXRVUOPYRG-UHFFFAOYSA-NInChI
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 5-Hexyn-1-oic acid
- 4-Ethynylbutyric acid
- EC2-103
Work with 5-Hexynoic acid
Similar compounds
6-Heptynoic acid30964-00-288 % similar
10-Undecynoic acid2777-65-384 % similar
17-Octadecynoic acid34450-18-584 % similar
4-Pentynoic acid6089-09-475 % similar
4-Cyanobutanoic acid39201-33-757 % similar
Glutaric acid110-94-157 % similar
Adipic acid124-04-957 % similar
Pimelic acid111-16-054 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.