DL-3,4-Dihydroxyphenylglycol - ≥95% , CAS No.28822-73-3

CAS: 28822-73-3 Cat. No.: R135061 Molecular Weight: 170.16 EC Number: 249-260-9 PubChem CID: 91528

GRADE & PURITY ≥95%

Synonyms

AKOS016843225 | DTXSID20865451 | 1,2-Ethanediol, 1-(3,4-dihydroxyphenyl)-, (.+/-.)- | FT-0694582 | (3,4-Dihydroxyphenyl)glycol | 2-hydroxy-2-(3,4-dihydroxy)phenylethanol | C05576 | 3,4-DIHYDROXYPHENYLGLYCOL, (+/-)- | dl-3,4-Dihydroxyphenylglycol | MTVWFVD

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS016843225 | DTXSID20865451 | 1, 2-Ethanediol, 1-(3, 4-dihydroxyphenyl)-, (.+/-.)- | FT-0694582 | (3, 4-Dihydroxyphenyl)glycol | 2-hydroxy-2-(3, 4-dihydroxy)phenylethanol | C05576 | 3, 4-DIHYDROXYPHENYLGLYCOL, (+/-)- | dl-3, 4-Dihydroxyphenylglycol | MTVWFVD

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

4-(1, 2-Dihydroxyethyl)benzene-1, 2-diol, a normal norepinephrine metabolite, is found to be associated with Menkes syndrome.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756070
• Canonical Smiles: C1=CC(=C(C=C1C(CO)O)O)O
• IUPAC Name: 4-(1,2-dihydroxyethyl)benzene-1,2-diol
• InChIKey: MTVWFVDWRVYDOR-UHFFFAOYSA-N
• INCHI: 1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2
• Isomeric SMILES: C1=CC(=C(C=C1C(CO)O)O)O
• WGK Germany: 3
• PubChem CID: 91528
• Molecular Weight: 170.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: a catechol

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 170.160 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.058 Da
• Monoisotopic Mass: 170.058 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 139.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xin Huang, Rui Wang, Yikai Wang, Changbao Chen, Shuying Liu.  (2022)  Investigation on property differences of ginseng and American ginseng by spatial metabolomics of neurochemicals with desorption electrospray ionization mass spectrometry imaging.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:36516905] [10.1016/j.jep.2022.116006]