CAS 537-98-4 trans-Ferulic Acid (purified by sublimation)

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trans-Ferulic Acid (purified by sublimation)

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Catalog Number

ACM537984

CAS Number

537-98-4

Product Name

trans-Ferulic Acid (purified by sublimation)

Structure

Category

Other Material Building Blocks

Description

Solid

IUPAC Name

(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

Molecular Weight

194.18g/mol

Molecular Formula

C10H10O4;C10H10O4

Canonical SMILES

COC1=C(C=CC(=C1)C=CC(=O)O)O

InChI

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

InChI Key

KSEBMYQBYZTDHS-HWKANZROSA-N

Melting Point

168-171°C

Solubility

In water, 5.97X10+3 mg/L at 25 °C (est)

Complexity

224

Covalently-Bonded Unit Count

EC Number

214-490-0;208-679-7

Exact Mass

194.057909g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 1.51;1.51

MeSH Entry Terms

4-hydroxy-3-methoxycinnamic acid;8,8'-diferulic acid;ferulic acid;ferulic acid, (E)-isomer;ferulic acid, (Z)-isomer;ferulic acid, monosodium salt;sodium ferulate

Monoisotopic Mass

194.057909g/mol

NSC Number

51986;2821

Other Experimental

Yellow oil. UV max (alcohol): 316 nm /cis-Form/;Orthorhombic needles from water, mp 174 °C. UV max (alcohol): 236, 322 nm. Soluble in hot water, alcohol, ethyl acetate. Moderately soluble in ether. Sparingly soluble in petroleum ether, benzene. Forms a sodium salt. /trans-Form/;Henry's Law constant = 7.96X10-14 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 4.83X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

UNII

AVM951ZWST

Vapor Pressure

2.69X10-6 mm Hg at 25 °C (est)

XLogP3

1.5

MSDS

Download MSDS

COA

Download COA

Spec Sheet