Ethyl 2-butynoate
Properties
- Molecular formula
- C6H8O2
- Molar mass
- 112.13 g/mol
- Exact mass
- 112.0524 Da
- Density
- 0.966 g/mL (at 20 °C)
- Boiling point
- 163 °C
- logP
- 0.57Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor10.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 48 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
4341-76-8SMILES
CC#CC(=O)OCCInChIKey
FCJJZKCJURDYNF-UHFFFAOYSA-NInChI
InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 2-Butynoic acid, ethyl ester
- Tetrolic acid, ethyl ester
- Ethyl tetrolate
- Ethyl 3-methylpropiolate
- Ethyl 1-propynecarboxylate
Work with Ethyl 2-butynoate
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
Diethyl acetylenedicarboxylate762-21-074 % similar
Ethyl 2-pentynoate55314-57-361 % similar
Ethyl propiolate623-47-254 % similar
Ethyl cyanoformate623-49-454 % similar
Ethyl propiolate823-47-254 % similar
Methyl 2-butynoate23326-27-452 % similar
Ethyl 2-octynoate10519-20-752 % similar
Ethyl 2-nonynoate10031-92-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.