Dihydrocaffeic acid
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Dihydrocaffeic acid
structure -
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CAS No:
1078-61-1
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Formula:
C9H10O4
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Chemical Name:
Dihydrocaffeic acid
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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:
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CAS No:
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
182.17
182.17
2213449
214-083-8
MSW0228VUB
624007|407275
DTXSID40221919
Characteristics
77.8
-0.5
Solid
1.4±0.1 g/cm3
139 °C
418℃
220℃
1.620
Slightly soluble in water.
1.02E-07mmHg at 25°C
133.05 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
MW5143500
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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
3,4-dihydroxyphenylpropionic acid has known human metabolites that include 3-(3-hydroxyphenyl)propanoic acid and 4-hydroxy- 4-Hydroxyphenylpropionic acid.
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
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