Cas no 6061-96-7 (2-Methylcitric Acid)

2-Methylcitric Acid is a tricarboxylic acid derivative that serves as a key intermediate in metabolic pathways, particularly in the study of propionate metabolism and related enzymatic processes. Its structural similarity to citric acid allows it to act as a competitive inhibitor or substrate analog in biochemical research. This compound is valuable for investigating metabolic disorders, such as methylmalonic acidemia, and for elucidating the mechanisms of enzymes like citrate synthase and aconitase. With high purity and stability, 2-Methylcitric Acid is suitable for analytical applications, including chromatography and mass spectrometry, as well as in vitro studies requiring precise metabolic modulation.
2-Methylcitric Acid structure
2-Methylcitric Acid structure
Product Name:2-Methylcitric Acid
CAS No:6061-96-7
MF:C7H10O7
MW:206.150103092194
CID:506441
PubChem ID:515
Update Time:2025-06-06

2-Methylcitric Acid Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Butanetricarboxylicacid, 2-hydroxy-
    • 2-Methylcitric Acid
    • 2-hydroxybutane-1,2,3-tricarboxylic acid
    • 2-METHYLCITRIC ACID (RACEMATE) (UNLABELLED)
    • 1,2,3-Butanetricarboxylic acid,2-hydroxy
    • 2-hydroxy-1,2,3-butanetricarboxylic acid
    • 2-hydroxy-1,2,3-butantricarbons
    • 2-Hydroxy-butan-1,2,3-tricarbonsaeure
    • 2-hydroxybutane-1,2,3-tricarboxylate
    • 2-hydroxy-butane-1,2,3-tricarboxylic acid
    • 2-methylcitrate
    • Methylcitronensaeure
    • AKOS030255292
    • methylcitric acid
    • Q27104155
    • 2-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
    • CS-0062310
    • MS-23120
    • NS00126979
    • DTXSID30863685
    • 2-Methylcitricacid
    • HY-113371
    • F91138
    • 1,2,3-Butanetricarboxylic acid, 2-hydroxy-
    • CHEBI:30835
    • 3-C-carboxy-2,4-dideoxy-2-methylpentaric acid
    • SCHEMBL271213
    • 6061-96-7
    • 2-Methylcitric acid, 3H-labeled
    • 3-Carboxy-3-hydroxy-2-methylpentanedioic acid
    • 15885-24-2
    • DTXCID50812271
    • 2-Methylcitric Acid (mixture of diastereomers) (unlabelled)
    • Inchi: 1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
    • InChI Key: YNOXCRMFGMSKIJ-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)(CC(=O)O)C(C(=O)O)C

Computed Properties

  • Exact Mass: 206.04300
  • Monoisotopic Mass: 206.042653
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 271
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 132
  • XLogP3: -1.4

Experimental Properties

  • PSA: 132.13000
  • LogP: -1.00250

2-Methylcitric Acid Customs Data

  • HS CODE:2918199090
  • Customs Data:

    China Customs Code:

    2918199090

    Overview:

    HS: 2918199090. Other alcohol containing but not other oxy carboxylic acids(Including its anhydride\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

2-Methylcitric Acid Pricemore >>

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