Methyl 2-Methyl-2-Butenoate
[CAS# 41725-90-0]

Identification

• Name: Methyl 2-Methyl-2-Butenoate
• Synonyms: Methyl (E)-2-Methylbut-2-Enoate; 2-Methylbut-2-Enoic Acid Methyl Ester; (E)-2-Methylbut-2-Enoic Acid Methyl Ester
• Molecular Formula: C₆H₁₀O₂
• Molecular Weight: 114.14
• CAS Registry Number: 41725-90-0
• EINECS: 255-518-1
• SMILES: C\C(C(OC)=O)=C/C
• InChI: 1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
• InChIKey: YYJWBYNQJLBIGS-SNAWJCMRSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 138-139°C (Expl.)
• Flash point: 39°C (Expl.)
• Refractive index: 1.437 (Expl.)

Safety Data

• Safety Code: S43;S60
• Risk Code: R10
• Transport Information: UN3272
• Safety Description: Safety glasses.

References

• (1): Roman Kaiser. Meaningful Scents Around the World: Olfactory, Chemical, Biological, and Cultural ConsiderationsThis book takes the reader on a fascinating fragrant journey around the world to some of the exciting places the author has visited during his 30 years of olfactory research. Following an introductory section to the world of natural scents, including their biological meaning and history, the fragrance and flavor chemist, Roman Kaiser, who is renowned for his 'headspace' analytical technique, revisits some memorable scents.
• (2): Denis Mulliner, Dominik Wondrousch and Gerrit Schüürmann. Predicting Michael-acceptor reactivity and toxicity through quantum chemical transition-state calculations, Org. Biomol. Chem., 2011, 9, 8400.