ChemicalBook--->CAS DataBase List--->71835-85-3

71835-85-3

71835-85-3 Structure

71835-85-3 Structure
IdentificationBack Directory
[Name]

Ferulic acid phenethyl ester
[CAS]

71835-85-3
[Synonyms]

NSC 666255
NSC 671193
β-Phenethyl ferulate
2-Phenylethyl Ferulate
PHENETHYL 3-METHYLCAFFEATE
PHENYLETHYL 3-METHYLCAFFEATE
CAFFEIC ACID, 3-METHYL PHENETHYL ESTER
methyl (2E)-3-(3,4-dihydroxyphenyl)acrylate
methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3-Methylphenethyl 3-(3,4-dihydroxyphenyl)acrylate
(E)-3-(3,4-dihydroxyphenyl)acrylic acid methyl ester
3-(3,4-dihydroxyphenyl)prop-2-enoic acid methyl ester
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid methyl ester
2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
3-(4-Hydroxy-3-Methoxyphenyl)-2-propenoic Acid 2-Phenylethyl Ester
[Molecular Formula]

C18H18O4
[MDL Number]

MFCD02094592
[MOL File]

71835-85-3.mol
[Molecular Weight]

298.33
Chemical PropertiesBack Directory
[Melting point ]

80-81℃
[Boiling point ]

474.7±40.0 °C(Predicted)
[density ]

1.193±0.06 g/cm3(Predicted)
[solubility ]

DMSO, Ethanol, Ethyl Acetate
[form ]

Solid
[pka]

8.63±0.20(Predicted)
[color ]

White to off-white
[InChI]

InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3
[InChIKey]

CZQNYPBIOHVQQN-UHFFFAOYSA-N
[SMILES]

C(OCCC1=CC=CC=C1)(=O)C=CC1=CC=C(O)C(OC)=C1
Hazard InformationBack Directory
[Uses]

It has chemopreventive properties against chemically induced colon carcinogenesis. It enhances apoptosis in azoxymethane induced colon tumors
[IC 50]

COX: 4.35 μM (IC50); 5-LOX: 5.75 μM (IC50)
Spectrum DetailBack Directory
[Spectrum Detail]

Ferulic acid phenethyl ester(71835-85-3)1HNMR
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