acetato de 5-hexenilo - ≥98%(GC) , CAS No.5048-26-0

CAS: 5048-26-0 Cat. No.: H157305 Fórmula: C₈H₁₄O₂ Peso molecular: 142.2 Número EC: 610-535-7

GRADE & PURITY ≥98%(GC)

Synonyms

Acetic acid 5-hexen-1-ylester | ACETICACID5-HEXEN-1-YLESTER | 5-Hexene-1-ol, acetate | 5-Hexenyl acetate # | hex-5-en-1-yl acetate | AKOS015903561 | D88421 | MFCD00060856 | 5-Hexenyl acetate | DTXSID80336950 | Acetic acid 5-hexen-1-yl ester | 6-Acetoxy-1-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Acetic acid 5-hexen-1-ylester | ACETICACID5-HEXEN-1-YLESTER | 5-Hexene-1-ol, acetate | 5-Hexenyl acetate # | hex-5-en-1-yl acetate | AKOS015903561 | D88421 | MFCD00060856 | 5-Hexenyl acetate | DTXSID80336950 | Acetic acid 5-hexen-1-yl ester | 6-Acetoxy-1-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488190181

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190181

Sonrisas canónicas

CC(=O)OCCCCC=C

IUPAC Name

hex-5-enyl acetate

InChIKey

MPLWNENKBSBMFN-UHFFFAOYSA-N

INCHI

1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h3H,1,4-7H2,2H3

Isómeros SMILES

CC(=O)OCCCCC=C

WGK Alemania

3

Peso molecular

142.2

Reaxy-Rn

1750144

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750144&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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: 1.42
• Punto de inflamación (°F): 140 °F
• Punto de inflamación (°C): 60 °C
• Punto de ebullición (°C): 172°C(lit.)
• Peso molecular: 142.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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