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ChemicalBook--->CAS DataBase List--->617-62-9

617-62-9

617-62-9 Structure

617-62-9 Structure
IdentificationBack Directory
[Name]

2-METHYLGLUTARIC ACID
[CAS]

617-62-9
[Synonyms]

NSC 5941
NSC 408456
AKOS 237-134
RARECHEM AL BO 0092
A-METHYLGLUTARIC ACID
2-METHYLGLUTARIC ACID
Glutaric acid, 2-methyl-
2-METHYLPENTANEDIOIC ACID
ALPHA-METHYLGLUTARIC ACID
dl-alpha-Methylglutaric acid
[EINECS(EC#)]

210-521-7
[Molecular Formula]

C6H10O4
[MDL Number]

MFCD00002661
[MOL File]

617-62-9.mol
[Molecular Weight]

146.14
Chemical PropertiesBack Directory
[Melting point ]

80-82 °C(lit.)
[Boiling point ]

214-215 °C22 mm Hg(lit.)
[density ]

1.246
[vapor pressure ]

0.001Pa at 20℃
[Fp ]

149℃
[storage temp. ]

Store below +30°C.
[solubility ]

DMF: 20 mg/ml; DMSO: 16 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 10 mg/ml
[form ]

powder to crystal
[pka]

4.57±0.10(Predicted)
[color ]

White to Light yellow
[PH]

2.8 (10g/L in H2O)
[Water Solubility ]

Soluble in water.
[InChI]

InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
[InChIKey]

AQYCMVICBNBXNA-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(C)CCC(O)=O
[LogP]

-1.3 at 20℃
[EPA Substance Registry System]

2-Methylglutaric acid (617-62-9)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2917198090
Hazard InformationBack Directory
[Description]

(2)-Methylglutaric acid is a metabolite found in or produced by Saccharomyces cerevisiae. It is used in of sparsely pillared organic-inorganic hybrid compound.
[Uses]

2-Methylglutaric acid is used as primary and secondary intermediates in pharmaceutical and chemical research.
[Definition]

ChEBI: 2-methylglutaric acid is an alpha,omega-dicarboxylic acid that is glutaric acid substituted at position 2 by a methyl group. It has a role as a mammalian metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is functionally related to a glutaric acid. It is a conjugate acid of a 2-methylglutarate(2-).
[Flammability and Explosibility]

Nonflammable
[References]

1. Effects of Relative Humidity and Particle Phase Water on the Heterogeneous OH Oxidation of 2-Methylglutaric Acid Aqueous Droplets. DOI:10.1021/acs.jpca.6b11606
2. Synthesis of 2‐Methylglutaric Acid by Oxidation of 3‐Methyl‐1,2‐ cyclopentanedione on Anodically Generated Ce(IV). DOI:10.1002/chin.199538117
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYLGLUTARIC ACID(617-62-9)MS
2-METHYLGLUTARIC ACID(617-62-9)1HNMR
2-METHYLGLUTARIC ACID(617-62-9)13CNMR
2-METHYLGLUTARIC ACID(617-62-9)IR1
2-METHYLGLUTARIC ACID(617-62-9)IR2
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