2-Butynoic acid
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2-Butynoic acid
structure -
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CAS No:
590-93-2
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Formula:
C4H4O2
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Chemical Name:
2-Butynoic acid
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Synonyms:
2-Butynoic acid;Tetrolic acid;3-Methylpropiolic acid;1-Propynecarboxylic acid;Methylpropynoic acid;Methylacetylenecarboxylic acid;NSC 174116;Methylpropiolic acid
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CAS No:
Characteristics
37.3
0.8
1.2±0.1 g/cm3
78 °C
203 °C
90.9±15.2 °C
1.468
Soluble in water. Slightly soluble in methanol and chloroform.
Safety Information
Ⅱ
8
3261
3
8
S26-S27-S36/37/39-S45
C:Corrosive;
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 142 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Butynoic acid Use and Manufacturing
Synthon employed in a variety of reactions, including cycloacylation of phenols to flavones and chromones,1 and cyclization to γ-butyrolactones.2
2-Butynoic acid: ACTIVE
Computed Properties
Molecular Weight:84.07
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:84.021129366
Monoisotopic Mass:84.021129366
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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