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CAS 3058-01-3

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(±)-3-Methyladipic acid

Description:
(±)-3-Methyladipic acid is a chiral dicarboxylic acid characterized by its two carboxyl functional groups (-COOH) and a methyl group attached to the third carbon of the adipic acid backbone. This compound has a molecular formula of C7H12O4 and a molecular weight that reflects its structure. It exists as a white crystalline solid at room temperature and is soluble in water, which is typical for dicarboxylic acids due to their ability to form hydrogen bonds. The presence of the methyl group introduces asymmetry, leading to two enantiomers, although the compound is often encountered as a racemic mixture. (±)-3-Methyladipic acid is of interest in various chemical syntheses and applications, including the production of polyesters and as a potential building block in organic synthesis. Its properties, such as melting point and boiling point, are influenced by the presence of the carboxylic acid groups, which can engage in intermolecular interactions. Overall, this compound plays a role in both industrial and academic research settings.
Formula:C7H12O4
InChI:InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
InChI key:InChIKey=SYEOWUNSTUDKGM-UHFFFAOYSA-N
SMILES:C(CCC(O)=O)(CC(O)=O)C
Synonyms:
  • (3S)-3-methylhexanedioate
  • 3-Methyl-1,6-Hexanedioic acid
  • 3-Methylhexanedioic acid
  • Adipic acid, β-methyl-
  • Hexanedioic acid, 3-methyl-
  • NSC 22069
  • β-Methyladipic acid
  • 3-Methyladipic acid
  • 3-METHYLADIPIC ACID 99%
  • 3-methylhexanedioate
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