Ethyl α-hydroxyisobutyrate - ≥98% , CAS No.80-55-7

CAS: 80-55-7 Cat. No.: E111355 Peso molecular: 132.16 Beilstein Registry Number: 878308 Número EC: 201-290-3

GRADE & PURITY ≥98%

Synonyms

FT-0612617 | Q27288428 | EN300-105389 | NSC 4667 | alpha (or beta) - Hydroxyisobutyric acid, ethyl ester | Ethyl 2-hydroxy-2-methylpropionate | Ethyl alpha -hydroxyisobutyrate | 2-hydroxy-2-methylpropionic acid ethyl ester | 2-hydroxy-2-methyl-propionic a

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

FT-0612617 | Q27288428 | EN300-105389 | NSC 4667 | alpha (or beta) - Hydroxyisobutyric acid, ethyl ester | Ethyl 2-hydroxy-2-methylpropionate | Ethyl alpha -hydroxyisobutyrate | 2-hydroxy-2-methylpropionic acid ethyl ester | 2-hydroxy-2-methyl-propionic a

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C(C)(C)O
• IUPAC Name: ethyl 2-hydroxy-2-methylpropanoate
• InChIKey: GFUIDHWFLMPAGY-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3
• Isómeros SMILES: CCOC(=O)C(C)(C)O
• WGK Alemania: 3
• RTECS: OD5672000
• Número ONU: 3272
• Peso molecular: 132.16
• Beilstein: 878308
• Reaxy-Rn: 878308
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878308&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

• Índice de refracción: 1.408
• Punto de inflamación (°F): 105.8 °F
• Punto de inflamación (°C): 41 °C
• Punto de ebullición (°C): 150°C
• Peso molecular: 132.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 132.079 Da
• Monoisotopic Mass: 132.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• 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