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Diethylmalonic acid - 98%, high purity , CAS No.510-20-3

COA

Grade & Purity:

≥98%

Cas Number: 510-20-3
Molecular Weight: 160.17
MDL number: MFCD00004202
PubChem CID: 68185
PubChem SID: 488184098

In stock

Item Number

D472481

Grouped product items
SKU	Size	Availability	Price
D472481-1g	1g	3	$34.90
D472481-5g	5g	5	$141.90
D472481-25g	25g	2	$591.90

Basic Description

Synonyms	Propanedioic acid, 2,2-diethyl- \| Z56922104 \| Diethylmalonic acid \| NSC1986 \| NSC-1986 \| DIETHYLMALONICACID \| LTMRRSWNXVJMBA-UHFFFAOYSA- \| Propanedioic acid, diethyl- \| 2,2-diethylpropanedioic acid \| A828400 \| 2,2-Diethylmalonic acid \| 2,2-Diethylmalonic
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Branched fatty acids
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Branched fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - 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 branched fatty acids. These are fatty acids containing a branched chain.
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

Pubchem Sid	488184098
IUPAC Name	2,2-diethylpropanedioic acid
INCHI	InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey	LTMRRSWNXVJMBA-UHFFFAOYSA-N
Smiles	CCC(CC)(C(=O)O)C(=O)O
Isomeric SMILES	CCC(CC)(C(=O)O)C(=O)O
Molecular Weight	160.17
Reaxy-Rn	1768554
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768554&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2309824	Certificate of Analysis	May 10, 2023	D472481
F2309825	Certificate of Analysis	May 10, 2023	D472481
F2309888	Certificate of Analysis	May 10, 2023	D472481
F2309882	Certificate of Analysis	May 10, 2023	D472481
F2309887	Certificate of Analysis	May 10, 2023	D472481
F2309823	Certificate of Analysis	May 10, 2023	D472481

Chemical and Physical Properties

Melt Point(°C)	129 - 131 °C
Molecular Weight	160.170 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	160.074 Da
Monoisotopic Mass	160.074 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153.000
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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