DL-Lactic acid - ≥90% , CAS No.50-21-5

CAS: 50-21-5 Cat. No.: L1526031 Peso molecular: 90.08 Beilstein Registry Number: 5238667 Número EC: 200-018-0

GRADE & PURITY ≥90%

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: CC(C(=O)O)O
• IUPAC Name: 2-hydroxypropanoic acid
• InChIKey: JVTAAEKCZFNVCJ-UHFFFAOYSA-N
• INCHI: 1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
• Isómeros SMILES: CC(C(=O)O)O
• WGK Alemania: 2
• Número ONU: 3265
• Grupo de embalaje: I
• Peso molecular: 90.08
• Beilstein: 5238667
• Reaxy-Rn: 1209341
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209341&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Hydroxy acids and derivatives
      • Subclass Alpha hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Hydroxy acids and derivatives
• Subclass: Alpha hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha hydroxy acids and derivatives
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon.
• External Descriptors: 2-hydroxy monocarboxylic acid

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

• Índice de refracción: 1.4252-1.4272
• Punto de inflamación (°F): 235.4℉
• Punto de inflamación (°C): 113°C
• Punto de ebullición (°C): 122°C
• Punto de fusión (°C): 18°C
• Peso molecular: 90.080 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 90.0317 Da
• Monoisotopic Mass: 90.0317 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 59.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1