2-Octynoic acid
Properties
- Molecular formula
- C8H12O2
- Molar mass
- 140.18 g/mol
- Exact mass
- 140.0837 Da
- Melting point
- 4 °C
- Boiling point
- 114 °C (at 5 Torr)
- logP
- 1.65Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Danger
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled40.8% of notifiers
- H302 Harmful if swallowed94.4% of notifiers
- H312 Harmful in contact with skin94.4% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage40.8% of notifiers
- H332 Harmful if inhaled94.4% of notifiers
Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
5663-96-7SMILES
CCCCCC#CC(=O)OInChIKey
BQDKCWCMDBMLEH-UHFFFAOYSA-NInChI
InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-5H2,1H3,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 2-Octyn-1-oic acid
- Pentylpropiolic acid
- NSC 75855
Work with 2-Octynoic acid
Similar compounds
2-Hexynoic acid764-33-074 % similar
Methyl 2-octynoate111-12-653 % similar
Stearolic acid506-24-153 % similar
Ethyl 2-octynoate10519-20-751 % similar
Methyl 2-nonynoate111-80-851 % similar
Ethyl 2-nonynoate10031-92-250 % similar
10,12-Tricosadiynoic acid66990-30-550 % similar
10,12-Pentacosadiynoic acid66990-32-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.