Ethyl Ferulate

HCID 736681CAS 4046-02-0

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Basic information

Standard SMILES: CCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIKey: ATJVZXXHKSYELS-FNORWQNLSA-N
Molecular formula: C12H14O4
Average molar mass: 222.24 g/mol

Overview

ethyl ferulate has been reported in Coptis japonica, Solanum nigrum, and other organisms with data available.

Names & identifiers

Preferred name: Ethyl Ferulate
IUPAC: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Names & synonyms

Ethyl ferulate4046-02-0Ethyl 4-hydroxy-3-methoxycinnamateethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFerulic acid, ethyl ester5B8915UELWORISTRACT EFNOMCORT EFNSC-14879DTXSID001021502RefChem:138929DTXCID801506566

Show more names

ETHYL 4'-HYDROXY-3'-METHOXYCINNAMAT2-Propenoic Acid, 3-(4-Hydroxy-3-Methoxyphenyl)-, Ethyl223-745-5Ferulic acid ethyl esterEthyl 4'-hydroxy-3'-methoxycinnamate28028-62-8ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateEthyl (E)-ferulate

Database identifiers

CAS: 4046-02-0
PubChem CID: 736681
ChEMBL: CHEMBL286796
UNII: 5B8915UELW
EC Number: 223-745-5
Nikkaji: J217.860E、J729.906K

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 249

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.