Basic Description

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 Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

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
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

Names and Identifiers

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

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2206268	Certificate of Analysis	May 11, 2024	R135061
H2206339	Certificate of Analysis	May 11, 2024	R135061
H2206347	Certificate of Analysis	May 11, 2024	R135061

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 Å²
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xin Huang, Rui Wang, Yikai Wang, Changbao Chen, Shuying Liu. (2023) Investigation on property differences of ginseng and American ginseng by spatial metabolomics of neurochemicals with desorption electrospray ionization mass spectrometry imaging. JOURNAL OF ETHNOPHARMACOLOGY, 303 (116006).

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SKU	Size	Availability	Price
R135061-1mg	1mg	1	$138.90
R135061-5mg	5mg	2	$344.90
R135061-10mg	10mg	2	$653.90

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