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2,2-Dimethylglutaric acid, also known as 2,2-dimethylpentanedioic acid, is an organic compound characterized by the presence of two methyl groups attached to the second carbon of the glutaric acid backbone. It exhibits acidic properties and serves as a versatile building block in various chemical reactions.
Used in Organic Synthesis:
2,2-Dimethylglutaric acid is used as a key intermediate for the synthesis of complex organic molecules, including specialty chemicals and pharmaceutical agents. Its unique structural features allow for the formation of diverse chemical entities through various synthetic routes.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 2,2-Dimethylglutaric acid is utilized as a crucial raw material for the development of novel drug candidates. Its ability to form stable derivatives and participate in key chemical reactions makes it an attractive component in the design and synthesis of new therapeutic agents.
Used in Agrochemicals:
2,2-Dimethylglutaric acid plays a significant role in the agrochemical industry, where it is employed as a building block for the synthesis of various agrochemical products. Its chemical properties enable the creation of effective compounds for crop protection and other agricultural applications.
Used in Dye Industry:
In the dyestuff sector, 2,2-Dimethylglutaric acid is used as an important raw material for the production of specialty dyes and pigments. Its reactivity and compatibility with other chemical components facilitate the development of innovative colorants for various applications, including textiles, plastics, and printing inks.

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  • 681-57-2 Structure
  • Basic information

    1. Product Name: 2,2-Dimethylglutaric acid
    2. Synonyms: Pentanedioic acid, 2,2-dimethyl-;TIMTEC-BB SBB008199;ALPHA,ALPHA-DIMETHYLGLUTARIC ACID;1,1-O-DIMETHYLPROPANE-1,3-DICARBOXYLIC ACID;2,2-DIMETHYLGLUTARIC ACID;2,2-DIMETHYLPENTANEDIOIC ACID;2,2-Dimethylpentanedioc acid;2,2-DIMETHYLGLUTARIC ACID, 98+%
    3. CAS NO:681-57-2
    4. Molecular Formula: C7H12O4
    5. Molecular Weight: 160.17
    6. EINECS: 211-655-9
    7. Product Categories: C7;Carbonyl Compounds;Carboxylic Acids
    8. Mol File: 681-57-2.mol
  • Chemical Properties

    1. Melting Point: 82-86 °C(lit.)
    2. Boiling Point: 200 °C / 2mmHg
    3. Flash Point: 149.7 °C
    4. Appearance: White to pale yellow powder
    5. Density: 1.3681 (rough estimate)
    6. Vapor Pressure: 0.000264mmHg at 25°C
    7. Refractive Index: 1.4328 (estimate)
    8. Storage Temp.: Store below +30°C.
    9. Solubility: N/A
    10. PKA: 4.58±0.10(Predicted)
    11. Water Solubility: It hydrolyzes with water.
    12. BRN: 1768501
    13. CAS DataBase Reference: 2,2-Dimethylglutaric acid(CAS DataBase Reference)
    14. NIST Chemistry Reference: 2,2-Dimethylglutaric acid(681-57-2)
    15. EPA Substance Registry System: 2,2-Dimethylglutaric acid(681-57-2)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 22-24/25
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 681-57-2(Hazardous Substances Data)

681-57-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 681-57-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,8 and 1 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 681-57:
(5*6)+(4*8)+(3*1)+(2*5)+(1*7)=82
82 % 10 = 2
So 681-57-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H12O4/c1-7(2,6(10)11)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,10,11)/p-2

681-57-2 Well-known Company Product Price

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  • Alfa Aesar

  • (B20481)  2,2-Dimethylglutaric acid, 98+%   

  • 681-57-2

  • 25g

  • 717.0CNY

  • Detail
  • Alfa Aesar

  • (B20481)  2,2-Dimethylglutaric acid, 98+%   

  • 681-57-2

  • 100g

  • 1011.0CNY

  • Detail
  • Alfa Aesar

  • (B20481)  2,2-Dimethylglutaric acid, 98+%   

  • 681-57-2

  • 500g

  • 4337.0CNY

  • Detail

681-57-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-dimethylglutaric acid

1.2 Other means of identification

Product number -
Other names 2,2-Dimethylpentane-1,5-dioic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:681-57-2 SDS

681-57-2Relevant articles and documents

PLANT OR MICROORGANISM-DERIVED CAROTENOID-OXYGEN COPOLYMER COMPOSITIONS, METHODS OF IDENTIFYING, QUANTIFYING AND PRODUCING SAME AND USES THEREOF

-

Paragraph 00109, (2017/09/21)

The present invention relates to carotenoid-oxygen copolymers, compositions, methods of identifying and quantifying carotenoid-oxygen copolymers in food and related sources, and methods of producing compositions comprising same. In one aspect the method of identifying and quantifying carotenoid-oxygen copolymers comprises an analysis of a low molecular weight marker compound in said sources. In another aspect the present invention provides a method of preparing compositions comprising said carotenoid-oxygen copolymers and/or enhancing levels of said copolymers in food sources in a sufficient and practically useful concentration to have beneficial effects in animals and humans, including beneficial immunological and health effects.

OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION

-

Page/Page column 45, (2008/06/13)

This invention relates to the use of potent potassium channel blockers or a formulation thereof in the treatment of glaucoma and other conditions which leads to elevated intraoccular pressure in the eye of a patient. This invention also relates to the use of such compounds to provide a neuroprotective effect to the eye of mammalian species, particularly humans.

Oxidation of α-Substituted Cyclohexanols by Nitric Acid

Smith, John R. Lindsay,Thomas, C. Barry,Whittaker, Mark

, p. 2191 - 2194 (2007/10/02)

The influence of α-substituents on the oxidative cleavage of cyclohexanol by nitric acid in the presence of copper(II) and vanadium(V) ions has been investigated.Following the initial oxidation to give the cyclohexanone, further reaction, leading to ring opening of the ketone, requires at least one α-hydrogen.Thus 2,2,6,6-tetramethylcyclohexanol is converted to the corresponding ketone whilst 2,2,6-trimethylcyclohexanol is oxidised to a mixture of dicarboxylic acids.The mechanisms of the oxidations are discussed and enolisation is shown to be the key to oxidative cleavage.For ketones that can give two alternative enols, reaction occurs predominantly via the more stable tautomer.

Process for the production of 3,3-dimethylglutaric

-

, (2008/06/13)

Process for the production of 3,3-dimethylglutaric acid from isophorone. In a first step the isophorone is converted with ozone into an ozone-addition product. The ozone-addition product is converted by hydrolysis into 3,3-dimethyl-5-oxohexanoic acid. The latter is converted into 3,3-dimethylglutaric acid by treatment with hydrogen peroxide.

1,1-Alkanediol dicarboxylate linked antibacterial agents

-

, (2008/06/13)

Useful antibacterial agents in which a penicillin and/or a beta-lactamase inhibitor are linked via 1,1-alkanediol dicarboxylates are of the formula STR1 where A is the residue of certain dicarboxyic acids, R3 is H or (C1 -C3), n is zero or 1 such that when n is zero R is P or B and R1 is the residue of certain esters, H or a salt thereof; and when n is 1, one of R and R1 is P and the other is B, and P is STR2 where R2 is H or certain acyl groups, and B is the residue of a beta-lactamase inhibiting carboxylic acid; a method for their use, pharmaceutical compositions thereof and intermediates useful in their production.

Bis-esters of dicarboxylic acids with amoxicillin and certain hydroxymethylpenicillanate 1,1-dioxides

-

, (2008/06/13)

Antibacterial bis-esters of 1,4-cyclohexanedicarboxylic acids and alkane dicarboxylic acids wherein the ester moieties are derived from different alcohols; one alcohol being hydroxymethylpenicillanate 1,1-dioxide, or the 6-beta-hydroxymethyl or the 6-alpha-aminomethyl derivative thereof; and the other being 6-[D-(2-amino-2-(p-hydroxyphenyl)acetamido)]penicillanic acid (amoxicillin); and pharmaceutically acceptable salts thereof; a method for the use of said esters and their salts, and methods for their preparation.

CARBOXYLATION OF γ-BUTYROLACTONES WITH CARBON MONOXIDE USING HF-SbF5 SUPER ACID

Yoneda, Norihiko,Suzuki, Akira,Takahashi, Yukio

, p. 767 - 768 (2007/10/02)

γ-Butyrolactones react with carbon monoxide at -20 to 30 deg C and at atmospheric pressure in HF-SbF5 super acid media containing an excess of SbF5 to give dicarboxylic acids in good yields.

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