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Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate - 97.0%, high purity , CAS No.21339-47-9

COA

Grade & Purity:

≥97%

Cas Number: 21339-47-9
Molecular Weight: 276.33
MDL number: MFCD00671525
PubChem CID: 298328

In stock

Item Number

D155925

Grouped product items
SKU	Size	Availability	Price
D155925-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
D155925-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
D155925-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$487.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester
Specifications & Purity	≥97%
Shipped In	Normal

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 esters
Alternative Parents	Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Acetal - 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 esters. These are carboxylic ester derivatives of a fatty 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

Names and Identifiers

IUPAC Name	diethyl 2-(2,2-diethoxyethyl)propanedioate
INCHI	InChI=1S/C13H24O6/c1-5-16-11(17-6-2)9-10(12(14)18-7-3)13(15)19-8-4/h10-11H,5-9H2,1-4H3
InChIKey	VQUXMFKGQFXVBC-UHFFFAOYSA-N
Smiles	CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
Isomeric SMILES	CCOC(CC(C(=O)OCC)C(=O)OCC)OCC
Molecular Weight	276.33
Reaxy-Rn	1797414
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1797414&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°C)	141 °C
Molecular Weight	276.330 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	276.157 Da
Monoisotopic Mass	276.157 Da
Topological Polar Surface Area	71.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	242.000
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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