3-Butenal diethyl acetal - ≥97% , CAS No.10602-36-5

CAS: 10602-36-5 Cat. No.: B165693 Peso molecular: 144.21 Número EC: 626-612-3

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1162241 | PRCYIYOCMALJCX-UHFFFAOYSA-N | FT-0636748 | 3-Butenal diethyl acetal | 3-Butenal diethylacetal | J-001525 | DTXSID80292502 | 1-Butene, 4,4-diethoxy- | AKOS015997648 | MFCD00012219 | 3-Butenal diethyl acetal, 97% | EN300-154120 | NSC83289 |

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL1162241 | PRCYIYOCMALJCX-UHFFFAOYSA-N | FT-0636748 | 3-Butenal diethyl acetal | 3-Butenal diethylacetal | J-001525 | DTXSID80292502 | 1-Butene, 4, 4-diethoxy- | AKOS015997648 | MFCD00012219 | 3-Butenal diethyl acetal, 97% | EN300-154120 | NSC83289 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(CC=C)OCC
• IUPAC Name: 4,4-diethoxybut-1-ene
• InChIKey: PRCYIYOCMALJCX-UHFFFAOYSA-N
• INCHI: 1S/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3
• Isómeros SMILES: CCOC(CC=C)OCC
• WGK Alemania: 3
• Peso molecular: 144.21
• Reaxy-Rn: 1702096
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702096&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• 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: Air sensitive
• Punto de inflamación (°F): 93.2 °F
• Punto de inflamación (°C): 34 °C
• Peso molecular: 144.210 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 75.300
• 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