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Dihydrocaffeic acid

Dihydrocaffeic acid structure

CAS No:
1078-61-1
Formula:
C9H10O4
Chemical Name:
Dihydrocaffeic acid
Synonyms:
Benzenepropanoic acid,3,4-dihydroxy-;Hydrocinnamic acid,3,4-dihydroxy-;3,4-Dihydroxybenzenepropanoic acid;Hydrocaffeic acid;3,4-Dihydroxy-β-phenylpropionic acid;3,4-Dihydroxyphenylpropionic acid;3-(3,4-Dihydroxyphenyl)propionic acid;3,4-Dihydroxyhydrocinnamic acid;Dihydrocaffeic acid;3,4-Dihydroxybenzenepropionic acid;3,4-Dihydroxydihydrocinnamic acid;3-(3,4-Dihydroxyphenyl)propanoic acid;NSC 407275;NSC 624007;STBB 8922V;DHC;27174-92-1;37417-25-7
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Dihydrocaffeic acid is a phenolic acid found in Gynura bicolor, reduces phosphorylation of MAPK p38 and prevent UVB-induced skin damage. Antioxidant potential and anti-inflammatory activity[1].

Solid

3-(3,4-dihydroxyphenyl)propanoic acid is a monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. Also known as dihydrocaffeic acid, it is a metabolite of caffeic acid and exhibits antioxidant activity. It has a role as an antioxidant and a human xenobiotic metabolite. It derives from a 3-phenylpropionic acid. It is a conjugate acid of a 3-(3,4-dihydroxyphenyl)propanoate.

Dihydrocaffeic acid Basic Attributes

Molecular Weight：

182.17

Exact Mass：

182.17

BRN：

2213449

EC Number：

214-083-8

UNII：

MSW0228VUB

NSC Number：

624007|407275

DSSTox ID：

DTXSID40221919

Characteristics

PSA：

77.8

XLogP3：

-0.5

Appearance：

Solid

Density：

1.4±0.1 g/cm3

Melting Point：

139 °C

Boiling Point：

418℃

Flash Point：

220℃

Refractive Index：

1.620

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

1.02E-07mmHg at 25°C

Collision Cross Section：

133.05 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

MW5143500

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

3,4-dihydroxyphenylpropionic acid has known human metabolites that include 3-(3-hydroxyphenyl)propanoic acid and 4-hydroxy- 4-Hydroxyphenylpropionic acid.

MeSH Entry Terms：

3,4-dihydroxyhydrocinnamic acid

Dihydrocaffeic acid Use and Manufacturing

Dihydrocaffeic Acid is a natural product containing a catechol group with an α,β-unsaturated carboxylic acid chain.Dihydrocaffeic Acid has been shown to have hepatoprotective activity. Dihydrocaffeic Acid is a metabolite of Caffeic Acid (C08000) with potent antioxidant properties.

Computed Properties

Molecular Weight:182.17
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:77.8
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl acetate

Tetrahydrofuran

Magnesium sulfate heptahydrate

Ammonium chloride

tert-Butanol

Vanillin

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CAS No.: 1078-61-1

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3-(3,4-DIHYDROXYPHENYL)Propio Nic Acid Dihydrocaffeic Acid Powder CAS 1078-61-1

CAS No.: 1078-61-1

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Guide of Dihydrocaffeic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
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