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DBE dibasic ester - Distillation grade, ≥99%(Total Diesters), high purity , CAS No.95481-62-2

COA

Grade & Purity:

Distillation grade

≥99%(Total Diesters)

Cas Number: 95481-62-2
EC Number: 619-131-5
MDL number: MFCD00152995
PubChem CID: 125339

In stock

Item Number

D1373706

Grouped product items
SKU	Size	Availability	Price	Qty
D1373706-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
D1373706-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90

Basic Description

Specifications & Purity	Distillation grade, ≥99%(Total Diesters)
Storage Temp	Room temperature
Shipped In	Normal
Grade	Distillation grade
Note	Mixture of dimethyl glutarate, dimethyl succinate and dimethyl adipate

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 Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

IUPAC Name	dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate
INCHI	InChI=1S/C8H14O4.C7H12O4.C6H10O4/c1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2;1-9-5(7)3-4-6(8)10-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3
InChIKey	QYMFNZIUDRQRSA-UHFFFAOYSA-N
Smiles	COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCC(=O)OC
Isomeric SMILES	COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCC(=O)OC
Alternate CAS	95481-62-2
PubChem CID	125339
MeSH Entry Terms	dibasic dimethyl esters of adipic acid, succinic acid and glutaric acid;estasol

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.424 (lit.)
Boil Point(°C)	196-225 °C (lit.)
Melt Point(°C)	100 °C（212.0 °F）
Molecular Weight	480.500 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	18
Exact Mass	480.221 Da
Monoisotopic Mass	480.221 Da
Topological Polar Surface Area	158.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	374.000
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	3

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