ChemicalBook--->CAS DataBase List--->5631-68-5

5631-68-5

5631-68-5 Structure

5631-68-5 Structure
IdentificationBack Directory
[Name]

3-(2,4-DIHYDROXYPHENYL)PROPIONIC ACID
[CAS]

5631-68-5
[Synonyms]

HYDROUMBELLIC ACID
2,4-DihydroxyhydrocinnaMic acid
2,4-Dihydroxybenzenepropanoic acid
3-(2,4-Dihydroxyphenyl)propanoicaci
3-(2,4-DIHYDROXYPHENYL)PROPIONIC ACID
Benzenepropanoic acid, 2,4-dihydroxy-
3-(2,4-Dihydroxyphenyl)propionic acid >=95.0% (HPLC)
2,4-Dihydroxyhydrocinnamic acid, Hydroumbellic acid
[Molecular Formula]

C9H10O4
[MDL Number]

MFCD00143017
[MOL File]

5631-68-5.mol
[Molecular Weight]

182.17
Chemical PropertiesBack Directory
[Melting point ]

158-162 °C
[Boiling point ]

418.0±14.0 °C(Predicted)
[density ]

1.398±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Solid
[pka]

4.84±0.10(Predicted)
[color ]

Brown to orange
[BRN ]

2694769
[InChI]

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

HMCMTJPPXSGYJY-UHFFFAOYSA-N
[SMILES]

OC(=O)CCc1ccc(O)cc1O
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H330-H311-H302-H315-H319
[Precautionary statements ]

P501-P260-P270-P271-P264-P280-P284-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P310-P403+P233-P405
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-(2,4-Dihydroxyphenyl)propionic acid (DHPPA) may be used as substrate for the o-diphenolase in microplate assays of serum and hemocyte supernatants from QXR3 and wild type oysters for the quantitation of o-diphenolase activity.
[General Description]

3-(2,4-Dihydroxyphenyl)propionic acid is a 3,4-dihydroxyphenylalanine (DOPA) analog. It is a building block for heterocyclic compounds.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2,4-DIHYDROXYPHENYL)PROPIONIC ACID(5631-68-5)1HNMR
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