Ethyl 3,3-dimethylpent-4-enoate

HCID 82262CAS 7796-72-7

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Basic information

Standard SMILES: C=CC(C)(C)CC(=O)OCC
InChIKey: ZLDOMUPTDYCDBS-UHFFFAOYSA-N
Molecular formula: C9H16O2
Average molar mass: 156.22 g/mol
Monoisotopic mass: 156.11502975

Names & identifiers

Preferred name: Ethyl 3,3-dimethylpent-4-enoate
IUPAC: ethyl 3,3-dimethylpent-4-enoate
English name: ethyl 3,3-dimethylpent-4-en-1-oate
Molecular formula: C9H16O2
Molecular weight: 156.22

Names & synonyms

ethyl 3,3-dimethylpent-4-enoateEthyl 3,3-dimethyl-4-pentenoate7796-72-74-Pentenoic acid, 3,3-dimethyl-, ethyl esterEthyl 3,3-dimethylpent-4-en-1-oateNZ837EQV7A3,3-Dimethyl-4-pentenoic acid, ethyl esterEINECS 232-250-33,3-Dimethyl-4-pentenoic acid ethyl esterDTXSID5064883RefChem:594550DTXCID6048094

Show more names

ethyl 3，3-dimethyl-4-pentenate3,3-Dimethyl-pent-4-enoic acid ethyl ester

232-250-3UNII-NZ837EQV7ASCHEMBL8759255ethyl3,3-dimethylpent-4-enoateethyl 3,3-dimethyl-4-pentenateAKOS006314432NS00037963

Database identifiers

CAS: 7796-72-7
PubChem CID: 82262
DTXSID: DTXSID5064883
UNII: NZ837EQV7A
EC Number: 232-250-3
Nikkaji: J24.709J

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 148

Physicochemical properties

Boiling point: 40 · 40-50 °C(Press: 0.25 Torr)
Density: 0.889 · 0.889±0.06 g/cm3(Predicted)
CAS DataBase Reference: 7796 · 7796-72-7
FDA UNII: 837 EQV7A · NZ837EQV7A
EPA Substance Registry System: 4 · 4-Pentenoic acid, 3,3-dimethyl-, ethyl ester (7796-72-7)
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4-Pentenoic acid, 3,3-dimethyl-, ethyl ester: INACTIVE

Applications

UsesEthyl 3,3-dimethylpent-4-en-1-oate is an important intermediate of pyrethroid, which can be used to synthesize ethyl permethrin and trifluthrin.