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2,2-Dimethylglutaric acid - 98%, high purity , CAS No.681-57-2

COA

Grade & Purity:

≥98%

Cas Number: 681-57-2
Molecular Weight: 160.17
Beilstein Registry Number: 1768500
MDL number: MFCD00004197
PubChem CID: 12681
PubChem SID: 504752381

In stock

Item Number

D102790

Grouped product items
SKU	Size	Availability	Price
D102790-1g	1g	3	$44.90
D102790-5g	5g	2	$134.90
D102790-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$481.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	BTUDGPVTCYNYLK-UHFFFAOYSA- \| DTXCID501585 \| MFCD00004197 \| 2.2-dimethyl-glutaric acid \| A9090 \| FT-0609272 \| D1786 \| InChI=1/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11) \| NCGC00248674-01 \| NSC 61979 \| glutaric acid, 2,2-dimethyl- \| AMY4
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	The vapour pressures of 2,2-dmethylglutaric acid at different temperatures was studied using Knudsen mass-loss effusion technique

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates
      - Level5 Branched fatty acids
        Level6 Methyl-branched fatty acids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Branched fatty acids
Direct Parent	Methyl-branched fatty acids
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methyl-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 methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
External Descriptors	alpha,omega-dicarboxylic acid
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	504752381
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752381
IUPAC Name	2,2-dimethylpentanedioic acid
INCHI	InChI=1S/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey	BTUDGPVTCYNYLK-UHFFFAOYSA-N
Smiles	CC(C)(CCC(=O)O)C(=O)O
Isomeric SMILES	CC(C)(CCC(=O)O)C(=O)O
WGK Germany	3
Molecular Weight	160.17
Beilstein	1768500
Reaxy-Rn	1768501
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768501&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
D2102033	Certificate of Analysis	Jan 13, 2025	D102790
B2324220	Certificate of Analysis	Oct 21, 2022	D102790
B2324255	Certificate of Analysis	Oct 21, 2022	D102790
B2324195	Certificate of Analysis	Oct 21, 2022	D102790

Chemical and Physical Properties

Solubility	It hydrolyzes with water.
Sensitivity	Hygroscopic
Boil Point(°C)	200 °C/2 mmHg
Melt Point(°C)	82-86°C
Molecular Weight	160.170 g/mol
XLogP3	0.700
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	171.000
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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