ChemicalBook--->CAS DataBase List--->1078-61-1

1078-61-1

1078-61-1 Structure

1078-61-1 Structure
IdentificationMore
[Name]

3-(3,4-DIHYDROXYPHENYL)PROPIONIC ACID
[CAS]

1078-61-1
[Synonyms]

3-(3,4-DIHYDROXYPHENYL)PROPIONIC ACID
3,4-DIHYDROCAFFEIC ACID
3,4-DIHYDROXYHYDROCINNAMIC ACID
BETA-(3,4-DIHYDROXYPHENYL) PROPIONIC ACID
DIHYDROCAFFEIC ACID
HYDROCAFFEIC ACID
3,4-dihydroxy-benzenepropanoicaci
3,4-dihydroxybenzenepropanoicacid
3,4-dihydroxy-hydrocinnamicaci
3,4-Dihydroxyhydrocinnamic acid~Hydrocaffeic acid
3,4-dihydroxyphenylpropionic acid
3-(3,4-Dihydroxyphenyl)propionic acid, 98+%
DIHYDROCAFFEIC ACID(RG)
3-(3,4-Dihydroxyphenyl)propionic acid, Hydrocaffeic acid
3-(3,4-Dihydroxyphenyl)propanoic acid
[EINECS(EC#)]

214-083-8
[Molecular Formula]

C9H10O4
[MDL Number]

MFCD00002776
[Molecular Weight]

182.17
[MOL File]

1078-61-1.mol
Chemical PropertiesBack Directory
[Melting point ]

136-139 °C(lit.)
[Boiling point ]

418℃
[density ]

1.398
[Fp ]

220℃
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.75±0.10(Predicted)
[color ]

Pale Beige to Pale Brown
[Water Solubility ]

Slightly soluble in water.
[BRN ]

2213449
[InChI]

InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
[InChIKey]

DZAUWHJDUNRCTF-UHFFFAOYSA-N
[SMILES]

C1(CCC(O)=O)=CC=C(O)C(O)=C1
[LogP]

0.115 (est)
[CAS DataBase Reference]

1078-61-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

MW5143500
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Tetrahydrofuran-->Magnesium sulfate-->Ammonium chloride-->tert-Butanol-->Palladium hydroxide-->Potassium-->Protocatechualdehyde-->Triethyl phosphonoacetate-->Tosylmethyl isocyanide
[Preparation Products]

3,4-Dimethoxyhydrocinnamic acid-->3-(2,2-dimethylbenzo[d][1,3]dioxol-6-yl)propanoic acid
Hazard InformationBack Directory
[Description]

Dihydrocaffeic acid is a polyphenol that has diverse biological activities, including antioxidant, neuroprotective, and enzyme inhibitory properties. Dihydrocaffeic acid scavenges ABTS (Item No. 27317; IC50 = 81.86 μg/ml) and 2,2-diphenyl-1-picrylhydrazyl (DPPH; Item No. 14805; IC50 = 192.86 μg/ml) radicals and increases the survival of RGC-5 mouse retinal ganglion cells under hypoxic conditions and in the presence of S-nitroso-N-acetyl-D,L-penicillamine (SNAP; Item No. 82250) in a concentration-dependent manner. It also decreases endothelial nitric oxide synthase (eNOS) activity in EA.hy926 human endothelial cells in a concentration-dependent manner. In vivo, dihydrocaffeic acid (30 mg/kg) decreases infarct size in a rat model of transient ischemia induced by middle cerebral artery occlusion (MCAO).
[Chemical Properties]

Brown Solid
[Uses]

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. Dihydrocaffei c Acid is a metabolite of Caffeic Acid (C08000) with potent antioxidant properties.
[Definition]

ChEBI: A monocarboxylic acid that is 3-phenylpropionic acid substituted by hydroxy groups at positions 3 and 4. It is a metabolite of caffeic acid and exhibits antioxidant activity.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Dihydrocaffeic acid(1078-61-1)MS
Dihydrocaffeic acid(1078-61-1)1HNMR
Dihydrocaffeic acid(1078-61-1)IR1
Dihydrocaffeic acid(1078-61-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(3,4-Dihydroxyphenyl)propionic acid, 98+%(1078-61-1)
[Sigma Aldrich]

1078-61-1(sigmaaldrich)
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