303666
2-Butynoic acid
98%
Synonym(s):
Tetrolic acid
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About This Item
Linear Formula:
CH3C≡CCO2H
CAS Number:
Molecular Weight:
84.07
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
209-695-7
MDL number:
Product Name
2-Butynoic acid, 98%
InChI key
LUEHNHVFDCZTGL-UHFFFAOYSA-N
InChI
1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)
SMILES string
CC#CC(O)=O
assay
98%
form
solid
mp
78-80 °C (lit.)
functional group
carboxylic acid
Quality Level
Related Categories
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.
General description
The rotational spectrum of 2-butynoic acid was measured by pulsed supersonic-jet Fourier transform microwave spectroscopy.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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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)
Jie Chen et al.
The journal of physical chemistry. B, 112(26), 7794-7802 (2008-06-06)
The solution behavior of a model compound, tetrolic acid (TTA), is studied via molecular dynamics simulations in four organic solvents. The results suggest that strong interactions between TTA and solvent molecules (ethanol or dioxane) prevent the formation of carboxylic acid
gamma.-Alkylation of 2-butynoic acid. Route to controlled prenol homologation.
Pitzele BS, et al.
The Journal of Organic Chemistry, 40(2), 269-270 (1975)
The Journal of Organic Chemistry, 56, 5120-5120 (1991)
I A Mjör et al.
Journal of dental research, 61(8), 967-972 (1982-08-01)
Adhesive bonding of resins to dentin surfaces requires the removal of the layer of debris caused by the cutting. Certain isotonic acidic solutions can do this rapidly. Five solutions were evaluated using cell cultures and pulp studies in monkeys. At
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