All Photos(3)
About This Item
Linear Formula:
CH3C≡CCO2H
CAS Number:
Molecular Weight:
84.07
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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assay
98%
form
solid
mp
78-80 °C (lit.)
SMILES string
CC#CC(O)=O
InChI
1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)
InChI key
LUEHNHVFDCZTGL-UHFFFAOYSA-N
Related Categories
General description
The rotational spectrum of 2-butynoic acid was measured by pulsed supersonic-jet Fourier transform microwave spectroscopy.
Application
2-Butynoic acid was employed as synthon in a variety of reactions, including cycloacylation of phenols to flavones and chromones, and cyclization to γ-butyrolactones. It was also used in synthesis of Z-trisubstituted olefins via γ-alkylation.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk_germany
WGK 3
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Certificates of Analysis (COA)
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Almost free methyl top internal rotation: Rotational spectrum of 2-butynoic acid.
Ilyushin V, et al.
Journal of Molecular Spectroscopy, 267(1), 186-190 (2011)
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