1,3-Acetonedicarboxylic acid - 10mM in DMSO , CAS No.542-05-2

CAS: 542-05-2 Cat. No.: A424629 Peso molecular: 146.1 Beilstein Registry Number: 1447081 Número EC: 208-797-9

GRADE & PURITY 10mM in DMSO

Synonyms

1,3-Acetonedicarboxylic acid, technical grade | 72B67DDF-F659-43AA-9A12-E57411FDE057 | 3-oxopentanedioicacid | EC 208-797-9 | AKOS005146511 | 6JN | AC-3531 | EN300-20020 | IH7P7WO21P | 1.3-acetonedicarboxylic acid | UNII-IH7P7WO21P | Z104476434 | 1,3-diac

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

1, 3-Acetonedicarboxylic acid, technical grade | 72B67DDF-F659-43AA-9A12-E57411FDE057 | 3-oxopentanedioicacid | EC 208-797-9 | AKOS005146511 | 6JN | AC-3531 | EN300-20020 | IH7P7WO21P | 1.3-acetonedicarboxylic acid | UNII-IH7P7WO21P | Z104476434 | 1, 3-diac

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: C(C(=O)CC(=O)O)C(=O)O
• IUPAC Name: 3-oxopentanedioic acid
• InChIKey: OXTNCQMOKLOUAM-UHFFFAOYSA-N
• INCHI: 1S/C5H6O5/c6-3(1-4(7)8)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
• Isómeros SMILES: C(C(=O)CC(=O)O)C(=O)O
• WGK Alemania: 3
• Peso molecular: 146.1
• Beilstein: 1447081
• Reaxy-Rn: 1447081
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1447081&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Keto acids and derivatives
      • Subclass Short-chain keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Keto acids and derivatives
• Subclass: Short-chain keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Short-chain keto acids and derivatives
• Alternative Parents: Beta-keto acids and derivatives Dicarboxylic acids and derivatives Beta-hydroxy ketones 1,3-dicarbonyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Short-chain keto acid - Beta-keto acid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Beta-hydroxy ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms.
• External Descriptors: Not available

Data sources

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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive&heat sensitive
• Punto de inflamación (°F): 392.0 °F
• Punto de inflamación (°C): 200 °C
• Punto de fusión (°C): 135°C
• Peso molecular: 146.100 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 146.022 Da
• Monoisotopic Mass: 146.022 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 153.000
• 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

Referencias

1. Xinzhou Wang, Longchao Ma, Xuqin Xie, Zhaoyang Xu, Chayanoot Kositanont, Chotiros Dokkhan, Yan Yao, Yanjun Li.  (2025)  Manufacturing of flame-retardant flattened bamboo board via partial lignin retention and CaCO3 mineralization.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39929023] [10.1016/j.ijbiomac.2025.140839]

2. Longchao Ma, Zijing Guo, Xuqin Xie, Yan Yao, Jianhua Wu, Yanjun Li, Xinzhou Wang.  (2025)  Process optimization for mineralized flattened bamboo board: Enhancing fire performance and surface-interface properties.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2025.141848]