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25522-33-2

25522-33-2 Structure

25522-33-2 Structure
IdentificationBack Directory
[Name]

(E)-3'-hydroxy-4'-methoxycinnamic acid
[CAS]

25522-33-2
[Synonyms]

(E)-isoferulic acid
trans-Isoferulic acid
(E)-3'-hydroxy-4'-methoxycinnamic acid
3-Hydroxy-4-methoxy-trans-cinnamic acid
trans-3-(3-Hydroxy-4-methoxyphenyl)acrylic acid
(E)-3-(3-Hydroxy-4-methoxyphenyl)propenoic acid
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (2E)-
[EINECS(EC#)]

247-071-6
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD00004391
[MOL File]

25522-33-2.mol
[Molecular Weight]

194.18
Chemical PropertiesBack Directory
[Melting point ]

230-236°C
[Boiling point ]

410.2±35.0 °C(Predicted)
[density ]

1.316±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Sparingly soluble in ethan
[form ]

powder
[pka]

4.53±0.10(Predicted)
[color ]

White-beige
[Major Application]

food and beverages
[InChI]

1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
[InChIKey]

QURCVMIEKCOAJU-HWKANZROSA-N
[SMILES]

COc1ccc(\C=C\C(O)=O)cc1O
[LogP]

1.560 (est)
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2918999090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

3-Hydroxy-4-methoxycinnamic acid, trans-Isoferulic acid
[Definition]

ChEBI: Isoferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. It has a role as a metabolite, a biomarker and an antioxidant.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

(E)-3'-hydroxy-4'-methoxycinnamic acid(25522-33-2)1HNMR
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