Methyl 2-octynoate
Properties
- Molecular formula
- C9H14O2
- Molar mass
- 154.21 g/mol
- Exact mass
- 154.0994 Da
- Density
- 0.919–0.924 g/mL
- Boiling point
- 78 °C (at 4 Torr)
- logP
- 1.74Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed97.3% of notifiers
- H317 May cause an allergic skin reaction97.4% of notifiers
Aggregated from 1,763 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501
Identifiers
CAS number
111-12-6SMILES
CCCCCC#CC(=O)OCInChIKey
FRLZQXRXIKQFNS-UHFFFAOYSA-NInChI
InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 2-Octynoic acid, methyl ester
- Folione
- Vert de violette, artificial
- Methyl 2-octynate
- Methyl pentylacetylenecarboxylate
- NSC 72098
Work with Methyl 2-octynoate
Similar compounds
Methyl 2-nonynoate111-80-896 % similar
Ethyl 2-octynoate10519-20-767 % similar
Ethyl 2-nonynoate10031-92-265 % similar
2-Octynoic acid5663-96-753 % similar
Methyl 4-hydroxybut-2-ynoate31555-05-252 % similar
Dimethyl acetylenedicarboxylate762-42-550 % similar
6-Dodecyne6975-99-146 % similar
5-Undecyne2294-72-645 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds