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3-(2,4-Dihydroxyphenyl)propionic acid - 95.0% (HPLC), high purity , CAS No.5631-68-5

COA

Grade & Purity:

≥95%(HPLC)

Cas Number: 5631-68-5
Molecular Weight: 182.17
MDL number: MFCD00143017
PubChem CID: 96384
PubChem SID: 504756316

In stock

Item Number

D171002

Grouped product items
SKU	Size	Availability	Price
D171002-100mg	100mg	5	$276.90
D171002-250mg	250mg	5	$623.90
D171002-500mg	500mg	3	$1,121.90
D171002-1g	1g	3	$2,019.90
D171002-5g	5g	2	$9,086.90

View related series

Amino Acid/Protein Metabolism (1836) Metabolic Enzyme/Protease (4860) Metabolite (5307) Tyrosinase (71)

Basic Description

Synonyms	A869973 \| HY-N1750 \| NCIOpen2_000618 \| STL034241 \| (E)-3-(methyl(phenyl)amino)acrylaldehyde \| MFCD00143017 \| AB92943 \| NSC 71551 \| AI3-13072 \| 3-(2,4-dihydroxyphenyl)propanoic acid \| HMCMTJPPXSGYJY-UHFFFAOYSA-N \| EN300-37040 \| 2,4-Dihydroxyhydrocinnamic a
Specifications & Purity	≥95%(HPLC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Application: 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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Phenylpropanoic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Phenylpropanoic acids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanoic acids
Alternative Parents	Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-phenylpropanoic-acid - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504756316
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756316
IUPAC Name	3-(2,4-dihydroxyphenyl)propanoic acid
INCHI	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	C1=CC(=C(C=C1O)O)CCC(=O)O
Isomeric SMILES	C1=CC(=C(C=C1O)O)CCC(=O)O
WGK Germany	3
Molecular Weight	182.17
Reaxy-Rn	2694769
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2694769&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
B2322482	Certificate of Analysis	Mar 03, 2023	D171002
B2322476	Certificate of Analysis	Mar 03, 2023	D171002
B2322505	Certificate of Analysis	Mar 03, 2023	D171002
B2322464	Certificate of Analysis	Dec 30, 2022	D171002
B2322466	Certificate of Analysis	Dec 30, 2022	D171002

Chemical and Physical Properties

Melt Point(°C)	158-162°C
Molecular Weight	182.170 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	182.058 Da
Monoisotopic Mass	182.058 Da
Topological Polar Surface Area	77.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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