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1，4-dimethyl 2-hydroxy-2-methylbutanedioate - ≥95%, high purity , CAS No.19020-62-3

COA

Grade & Purity:

≥95%

Cas Number: 19020-62-3
Molecular Weight: 176.1672
MDL number: MFCD25962991
PubChem CID: 519625

In stock

Item Number

D769478

Grouped product items
SKU	Size	Availability	Price	Qty
D769478-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,386.90
D769478-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,773.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid methyl esters
Alternative Parents	Dicarboxylic acids and derivatives Tertiary alcohols Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
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

Names and Identifiers

INCHI	InChI=1S/C7H12O5/c1-7(10,6(9)12-3)4-5(8)11-2/h10H,4H2,1-3H3
InChIKey	GMSSNUSBKDUVFC-UHFFFAOYSA-N
Smiles	CC(CC(=O)OC)(C(=O)OC)O
Isomeric SMILES	CC(CC(=O)OC)(C(=O)OC)O
Molecular Weight	176.1672

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	258.0±20.0°C(Predicted)
Molecular Weight	176.170 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	176.068 Da
Monoisotopic Mass	176.068 Da
Topological Polar Surface Area	72.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188.000
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

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