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Dihydroferulic acid

Dihydroferulic acid structure

CAS No:
1135-23-5
Formula:
C10H12O4
Chemical Name:
Dihydroferulic acid
Synonyms:
Benzenepropanoic acid,4-hydroxy-3-methoxy-;Hydrocinnamic acid,4-hydroxy-3-methoxy-;4-Hydroxy-3-methoxybenzenepropanoic acid;3-Methoxyphloretic acid;Ferulic acid,α,β-dihydro-;Hydroferulic acid;β-3-Methoxy-4-hydroxyphenylpropionic acid;(4-Hydroxy-3-methoxyphenyl)propionic acid;β-(4-Hydroxy-3-methoxyphenyl)propionic acid;Dihydroferulic acid;3-Methoxy-4-hydroxyphenylpropionic acid;3-(4-Hydroxy-3-methoxyphenyl)propionic acid;Shorbic acid;Dihydroconiferylic acid;3-(3-Methoxy-4-hydroxyphenyl)propionic acid;3-(3-Methoxy-4-hydroxyphenyl)propanoic acid;3-(4-Hydroxy-3-methoxyphenyl)propanoic acid;3-(3′-Methoxy-4′-hydroxyphenyl)propionic acid
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Dihydroferulic acid (Hydroferulic acid) is one of the main metabolites of curcumin and antioxidant/radical-scavenging properties with an IC50 value of 19.5 μM. Dihydroferulic acid is a metabolite of human gut microflora as well as a precursor of vanillic acid[1][2].

Dihydroferulic acid is a monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group. It has a role as a human xenobiotic metabolite, a plant metabolite, a mouse metabolite and an antioxidant. It is a monocarboxylic acid, a phenylpropanoid and a member of guaiacols. It derives from a propionic acid. It is a conjugate acid of a dihydroferulate.

Dihydroferulic acid Basic Attributes

Molecular Weight：

196.2

Exact Mass：

196.20

BRN：

2110370

EC Number：

214-489-5

UNII：

O01RNC700M

DSSTox ID：

DTXSID90150427

HScode：

2918990090

Characteristics

PSA：

66.8

XLogP3：

0.7

Density：

1.3±0.1 g/cm3

Melting Point：

89-90 °C

Boiling Point：

120-130 °C @ Press: 0.5 Torr

Flash Point：

151.1±17.2 °C

Refractive Index：

1.562

Water Solubility：

soluble in dimethyl sulfoxide and methanol.

Vapor Pressure：

2.45E-06mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

Dihydroferulic acid has known human metabolites that include 3-[3-Methoxy-4-(sulfooxy)phenyl]propanoic acid.

MeSH Entry Terms：

dihydroferulic acid

Dihydroferulic acid Use and Manufacturing

A caffeine metabolite which showed high antioxidant activity. It is a very sensitive biomarker for the consumption of relatively small amount of coffee.

Computed Properties

Molecular Weight:196.20
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:196.07355886
Monoisotopic Mass:196.07355886
Topological Polar Surface Area:66.8
Heavy Atom Count:14
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1135-23-5

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3-(4-Hydroxy-3-methoxyphenyl)propionic acid

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Guide of Dihydroferulic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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Dihydroferulic acid

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