ChemicalBook--->CAS DataBase List--->621-54-5

621-54-5

621-54-5 Structure

621-54-5 Structure
IdentificationMore
[Name]

3-(3-HYDROXYPHENYL)PROPIONIC ACID
[CAS]

621-54-5
[Synonyms]

3-(3-HYDROXYPHENYL)PROPIONIC ACID
3-HYDROXYHYDROCINNAMIC ACID
3-(M-HYDROXYPHENYL)PROPIONIC ACID
IFLAB-BB F2119-0005
LABOTEST-BB LT00454600
M-HYDROCOUMARIC ACID
3-hydroxy-benzenepropanoicaci
3-hydroxybenzenepropanoicacid
3-Hydroxyphenylpropionic acid
3-hydroxyphenylpropionicacid
b-(m-Hydroxyphenyl)propionic acid
Benzenepropanoic acid, 3-hydroxy-
beta-(3-Hydroxyphenyl)propionic acid
beta-(3-hydroxyphenyl)propionicacid
beta-(m-Hydroxyphenyl)propionic acid
beta-(m-hydroxyphenyl)propionicacid
Hydrocinnamic acid, m-hydroxy-
m-hydroxy-hydrocinnamicaci
m-Hydroxyphenylpropionic acid
3-(3-Hydroxyphenyl)propanoic acid
[EINECS(EC#)]

210-692-8
[Molecular Formula]

C9H10O3
[MDL Number]

MFCD00016554
[Molecular Weight]

166.17
[MOL File]

621-54-5.mol
Chemical PropertiesBack Directory
[Melting point ]

111 °C
[Boiling point ]

355℃
[density ]

1.260
[Fp ]

182℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in chloroform and methanol.
[form ]

Solid
[pka]

4.68±0.10(Predicted)
[color ]

Pale Beige to Light Brown
[BRN ]

1947445
[InChI]

InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
[InChIKey]

QVWAEZJXDYOKEH-UHFFFAOYSA-N
[SMILES]

C1(CCC(O)=O)=CC=CC(O)=C1
[CAS DataBase Reference]

621-54-5(CAS DataBase Reference)
Safety DataBack Directory
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RTECS ]

MW5340000
[HS Code ]

29163990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Diethyl ether-->Benzene-->Pyridine-->Palladium-->Hydrogen-->Piperidine-->Malonic acid-->Morpholine-->3-Hydroxybenzaldehyde
[Preparation Products]

3-(3-Hydroxyphenyl)-DL-alanine-->5-Hydroxy-1-indanone
Hazard InformationBack Directory
[Uses]

3-Hydroxyphenylpropionic Acid was found as an urinary metabolite of Procyanidins in pigs. 3-Hydroxyphenylpropionic Acid is also an intermediate in the synthesis of various organic synthetic products .
[Uses]

3-Hydroxyphenylpropionic acid acts as a urinary metabolite of procyanidins in pigs. It also serves as an intermediate in the preparation of various synthetic organic products. Further, it is used in the preparation of 3-(3-hydroxy-phenyl)-propionic acid methyl ester.
[Definition]

ChEBI: A monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3.
[Biochem/physiol Actions]

3-(3-Hydroxyphenyl)propanoic acid is one of the major metabolites of ingested caffeic acid and of the phenolic degradation products of proanthocyanidins (the most abundant polyphenol present in chocolate) by the microflora in the colon. 3-(3-Hydroxyphenyl)propanoic acid is suspected to have antioxidants properties and is actively absorbed by the monocarboxylic acid transporter (MCT) in intestinal Caco-2 cell monolayers.
[storage]

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

3-(3-HYDROXYPHENYL)PROPIONIC ACID(621-54-5)MS
3-(3-HYDROXYPHENYL)PROPIONIC ACID(621-54-5)1HNMR
3-(3-HYDROXYPHENYL)PROPIONIC ACID(621-54-5)IR1
3-(3-HYDROXYPHENYL)PROPIONIC ACID(621-54-5)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(3-Hydroxyphenyl)propionic acid, 98+%(621-54-5)
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