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Ferulic Acid Ethyl Ester

CAT: 0572-TRC-F308925-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F308925-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4046-02-0
Synonyms
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, ethyl ester; Cinnamic acid, 4-hydroxy-3-methoxy-, ethyl ester (7CI,8CI); BBR 3222; Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate; Ethyl 4-hydroxy-3-methoxycinnamate; Ethyl ferulate; Ferulic acid ethyl ester; NSC 14879
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCOC(=O)C=Cc1ccc(O)c(OC)c1
Molecular Formula
C12 H14 O4
Molecular Weight
222.24
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3
Additionnal Information
IUPAC name: ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethyl Ferulate

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

CAS Number4046-02-0
PubChem CID736681
IUPAC Nameethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC12H14O4
Molecular Weight222.24
XLogP2.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity249
SMILES
CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
InChIKey
ATJVZXXHKSYELS-FNORWQNLSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Ferulate
CAS: 4046-02-0
CID: 736681
Formula: C12H14O4
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass222.08920892
Monoisotopic Mass222.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
450032-01Ferulic Acid Ethyl Ester
GTR19166579-01FERULIC ACID METHYL ESTER
T3S0006-01(E) -Ferulic acid methyl ester
AR-F01349-01Dihydro Ferulic Acid Methyl Ester
HY-W018643RFerulic acid methyl ester (Standard)
A22364-500Ferulic acid methyl ester 500mg
MBS3616810-01(E)-Ferulic acid methyl ester
A22364-1000Ferulic acid methyl ester 1g

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