5-Hexenyl Acetate - ≥98%(GC) , CAS No.5048-26-0

CAS: 5048-26-0 Cat. No.: H157305 Formula: C₈H₁₄O₂ Peso molecolare: 142.2 Numero 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

Sinonimi

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-

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488190181

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

CC(=O)OCCCCC=C

WGK Germania

3

Peso molecolare

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
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.42
• Punto di infiammabilità (°F): 140 °F
• Punto di infiammabilità (°C): 60 °C
• Punto di ebollizione (°C): 172°C(lit.)
• Peso molecolare: 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