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2-Methyl-2-Butenoic Acid
[CAS 13201-46-2]

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Identification
Name 2-Methyl-2-Butenoic Acid
Synonyms (E)-2-Methylbut-2-Enoic Acid; C08279; Tiglic Acid
Molecular Structure CAS#: 13201-46-2, 2-Methyl-2-Butenoic Acid
Molecular Formula C5H8O2
Molecular Weight 100.12
CAS Registry Number 13201-46-2
EINECS 236-167-3
SMILES C\C(C(O)=O)=C/C
InChI 1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
InChIKey UIERETOOQGIECD-ONEGZZNKSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
0.969 (Expl.)
Melting point 64°C (Expl.)
Boiling point 198.499°C at 760 mmHg (Cal.)
198-199°C (Expl.)
Flash point 95.9±9.6°C (Cal.)
101°C (Expl.)
Safety Data
Safety Code S26;S36/37/39;S45  Details
Risk Code R34  Details
Hazard Symbol symbol  C  Details
Transport Information UN3261
Safety Description DANGER: CORROSIVE, burns skin and eyes
SDS Available
References
(1) Davide Ferri, Thomas Bürgi and Alfons Baiker. FTIR study of chiral modifier–reactant interactions. The cinchonidine–alkenoic acid system, J. Chem. Soc., Perkin Trans. 2, 2002, 0, 437.
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