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1135-15-5

1135-15-5 Structure

1135-15-5 Structure
IdentificationBack Directory
[Name]

3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID
[CAS]

1135-15-5
[Synonyms]

Hydroisoferulic Acid
Dihydroisoferulic acid
3-Hydroxy-4-Methoxy-benzenepropanoic Acid
3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID
β-(3-Hydroxy-4-Methoxyphenyl)propionic Acid
3-(3-Hydroxy-4-Methoxyphenyl)propionic Acid (Dihydroisoferulic Acid)
[Molecular Formula]

C10H12O4
[MDL Number]

MFCD01444519
[MOL File]

1135-15-5.mol
[Molecular Weight]

196.2
Chemical PropertiesBack Directory
[Appearance]

Pale Yellow Solid
[Melting point ]

145-147°C
[Boiling point ]

378.8±27.0 °C(Predicted)
[density ]

1.259±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.73±0.10(Predicted)
[color ]

White to Off-White
[InChI]

1S/C10H12O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
[InChIKey]

ZVIJTQFTLXXGJA-UHFFFAOYSA-N
[SMILES]

COc1ccc(CCC(O)=O)cc1O
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

A useful synthetic intermediate in the preparation of pharmaceuticals
[Definition]

ChEBI: Dihydroisoferulic acid is a member of benzenes and a monocarboxylic acid.
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

3-(3-HYDROXY-4-METHOXYPHENYL)PROPIONIC ACID(1135-15-5)1HNMR
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