sec-Butyl fumarate
(E)-4-butan-2-yloxy-4-oxobut-2-enoic acid
Also Known As: sec-Butyl fumarate|Fumaric acid, sec-butyl ester|2-Butenedioic acid 1-sec-butyl ester|2-Butenedioic acid (E)-, MONO(1-methylpropyl) ester|2-Butenedioic acid (2E)-, MONO(1-methylpropyl) ester|(E)-2-Butenedioic acid 1-sec-butyl ester|4-(butan-2-yloxy)-4-oxobut-2-enoic acid|(E)-4-butan-2-yloxy-4-oxobut-2-enoic acid|(2E)-4-(butan-2-yloxy)-4-oxobut-2-enoic acid
CAS: 92402-16-9
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07356 g/mol |
| LogP | 0.9689 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07356 |
| Monoisotopic Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 195.23454 |
Chemical Identifiers
| CAS Number | 92402-16-9 |
|---|---|
| SMILES | CCC(C)OC(=O)/C=C/C(=O)O |
Product Overview
sec-Butyl fumarate (CAS 92402-16-9), with molecular formula C8H12O4 and molecular weight 172.07356 g/mol. IUPAC: (E)-4-butan-2-yloxy-4-oxobut-2-enoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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