ChemicalBook--->CAS DataBase List--->53774-20-2

53774-20-2

53774-20-2 Structure

53774-20-2 Structure
IdentificationBack Directory
[Name]

2-METHYL-3-BUTENOIC ACID
[CAS]

53774-20-2
[Synonyms]

CH2=CHCH(CH3)COOH
2-Methyl-3-butenoie acid
3-Butenoic acid, 2-Methyl-
[Molecular Formula]

C5H8O2
[MDL Number]

MFCD00042650
[MOL File]

53774-20-2.mol
[Molecular Weight]

100.12
Chemical PropertiesBack Directory
[Melting point ]

20.44°C (estimate)
[Boiling point ]

42-43 °C/0.1 mmHg(lit.)
[density ]

0.968 g/mL at 20 °C
[refractive index ]

n20/D 1.424
[Fp ]

76 °C
[storage temp. ]

Sealed in dry,2-8°C
[form ]

clear liquid
[pka]

4.36±0.10(Predicted)
[color ]

Colorless to Almost colorless
[InChI]

InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3-4H,1H2,2H3,(H,6,7)
[InChIKey]

GQWNPIKWYPQUPI-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(C)C=C
[LogP]

0.890 (est)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39-45
[RIDADR ]

1760
[HS Code ]

2916.19.3000
[HazardClass ]

8
[PackingGroup ]

III
Hazard InformationBack Directory
[Definition]

ChEBI: 2-methylbut-3-enoic acid is a branched-chain fatty acid.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-3-BUTENOIC ACID(53774-20-2)1HNMR
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