Isoferulic acid

Inquiry
For Research Use Only.
Category
Phenylpropanoids
Cat.No.
NP5403
CAS
25522-33-2
Product Name
Isoferulic acid
Structure

Product Details

Description
Isoferulic acid isolated from the roots of Cimicifuga foetida L.
Synonyms
(E)-3-(3-Hydroxy-4-methoxyphenyl)propenoic acid;3-Hydroxy-4-methoxy-trans-cinnamic acid;trans-3-(3-Hydroxy-4-methoxyphenyl)acrylic acid;trans-Isoferulic acid
IUPAC Name
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
Molecular Weight
194.2
Molecular Formula
C10H10O4
Canonical SMILES
COC1=C(C=C(C=C1)C=CC(=O)O)O
InChI
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
Boiling Point
410.2±35.0 °C(Predicted)
Melting Point
230-236°C
Purity
> 95%
Density
1.316±0.06 g/cm3(Predicted)
Appearance
Powder
Storage
Sealed in dry,2-8°C
EINECS
247-071-6
pKa
4.53±0.10(Predicted)
Uses
3-Hydroxy-4-methoxycinnamic acid, trans-Isoferulic acid.
WGK Germany
3
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