3-BUTYNOIC ACID structure, CAS 2345-51-9

3-BUTYNOIC ACID

CAS Number2345-51-9

Synonymsbut-3-ynoic acid; 3-Butynoic acid

Molecular FormulaC4H4O2

Molecular Weight84.07

Purity98.00%

Density1.2±0.1 g/cm3

Boiling Point194.9±23.0 °C at 760 mmHg

Melting Point188-195ºC

Flash Point

AppearanceSolid;White to Almost white powder to crystal

EINECS

MSDSChineseEnglish

Symbol8,6.1

Signal WordWarning

Cat. No.: 2A-1169158 Purity: 98.00%
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Quality Control of [ 2345-51-9 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number2345-51-9
Catalog No.2A-1169158
Chinese Name3-丁炔酸
Synonymsbut-3-ynoic acid; 3-Butynoic acid
Molecular FormulaC4H4O2
Molecular Weight84.07
Purity98.00
Density1.2±0.1 g/cm3
Boiling Point194.9±23.0 °C at 760 mmHg
Melting Point188-195ºC
AppearanceSolid;White to Almost white powder to crystal
Storage Condition0-10°C; store in inert gas; avoid air, heat
Application3-Butyric acid is an inhibitor of acyl-CoA dehydrogenase [1].
HTC2916190090
PubChem ID8400
SMILESC#CCC(=O)O
InChIInChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)
InChI KeyKKAHGSQLSTUDAV-UHFFFAOYSA-N
Hazard Symbols8,6.1
Bioactivity3-Butynoic acid is an inhibitor of acyl CoA dehydrogenase[1]. Related Catalog Research Areas >> Others Target Human Endogenous Metabolite References [1]. Akedo, M., et al. Direct Demonstration of Lactate-Acrylate Interconversion in Clostridium Propionicum. Nat Biotechnol 1, 791-794 (1983). Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 194.9±23.0 °C at 760 mmHg Melting Point 188-195ºC Molecular Formula C4H4O2 Molecular Weight 84.07 Flash Point 82.6±17.3 °C Exact Mass 84.021126 PSA 37.30000 LogP 0.10 Vapour Pressure 0.2±0.8 mmHg at 25°C Index of Refraction 1.460 InChIKey KKAHGSQLSTUDAV-UHFFFAOYSA-N SMILES C#CCC(=O)O
Use of3-Butynoic acid is an inhibitor of acyl CoA dehydrogenase[1]. Properties Name 3-butynoic acid Synonym More Synonyms 3-Butynoic acid Biological Activity Description 3-Butynoic acid is an inhibitor of acyl CoA dehydrogenase[1]. Related Catalog Research Areas >> Others Human Endogenous Metabolite References [1]. Akedo, M., et al. Direct Demonstration of Lactate-Acrylate Interconversion in Clostridium Propionicum. Nat Biotechnol 1, 791-794 (1983). Chemical & Physical Properties Molecular Formula C4H4O2 Exact Mass 84.021126 PSA 37.30000 Index of Refraction 1.460 InChIKey KKAHGSQLSTUDAV-UHFFFAOYSA-N SMILES C#CCC(=O)O
Tax Rebate9.0%
SupervisionA. Customs clearance form for inbound goods B. Customs clearance form for outbound goods
InspectionR. Imported food hygiene supervision and inspection S. Export food hygiene supervision and inspection M. Imported commodity inspection N. Exported commodity inspection
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information European Dangerous Regulations for land transport: 2923 International Dangerous Regulations for sea transport: 2923 International Dangerous Regulations for air transport: 2923 14.2 United Nations shipping name European Land Transport Dangerous Regulations: CORROSIVE SOLID, TOXIC, N.O.S. (3-Butynoic acid) IMDG Code: CORROSIVE SOLID, TOXIC, N.O.S. (3-Butynoic acid) International air transport hazard regulations: Corrosive solid, toxic, n.o.s. (3-Butynoic acid) 14.3 Transport hazard categories European Land Transport Dangerous Regulations: 8 (6.1) International Maritime Transport Dangerous Regulations: 8 (6.1) International Air Transport Dangerous Regulations: 8 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available
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