5048-26-0

Basic information

• Product Name: ACETIC ACID 5-HEXEN-1-YL ESTER
• Synonyms: 5-Hexene-1-ol, acetate;6-ACETOXY-1-HEXENE;ACETIC ACID 5-HEXEN-1-YL ESTER;5-HEXEN-1-YL ACETATE;5-HEXENYL ACETATE;HEX-5-EN-1-YL ACETATE;5-HEXEN-1-OL ACETATE;acetic acid 5-hexenyl ester
• CAS NO: 5048-26-0
• Molecular Formula: C₈H₁₄O₂
• Molecular Weight: 142.2
• Product Categories: C8 to C9;Carbonyl Compounds;Esters;Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 5048-26-0.mol

Chemical Properties

• Boiling Point: 173-174 °C(lit.)
• Flash Point: 141 °F
• Appearance: /
• Density: 0.883 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.866mmHg at 25°C
• Refractive Index: n20/D 1.423(lit.)
• Water Solubility: Insoluble in water, soluble in alcohol.
• CAS DataBase Reference: ACETIC ACID 5-HEXEN-1-YL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: ACETIC ACID 5-HEXEN-1-YL ESTER(5048-26-0)
• EPA Substance Registry System: ACETIC ACID 5-HEXEN-1-YL ESTER(5048-26-0)

Safety Data

• Statements: 10
• Safety Statements: 16
• RIDADR: UN 3272 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 5048-26-0(Hazardous Substances Data)

Usage

Uses

Used in Insect Pheromone Synthesis:
ACETIC ACID 5-HEXEN-1-YL ESTER is used as a key component in the synthesis of (4E,7Z)-4,7-Tridecadienyl acetate, a component of the sex pheromone. This application is particularly relevant in the field of pest control and entomology, where pheromones are used to attract and control insect populations.
Used in Olefin Cross Metathesis:
In the chemical industry, ACETIC ACID 5-HEXEN-1-YL ESTER is used as a reactant in olefin cross metathesis reactions. This process involves the ruthenium-catalyzed cross-metathesis with α-substituted vinyl boronates in dichloromethane, which is crucial for the synthesis of various complex organic compounds.
Used in Polymer Science:
ACETIC ACID 5-HEXEN-1-YL ESTER plays a significant role in the post-polymerization modification step during the preparation of poly(vinylnorbornene). This application is essential in the development of advanced materials with tailored properties for various applications, such as in the automotive, aerospace, and electronics industries.

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

Upstream product

• 6222-17-9 1,6-diacetoxyhexane 
• 86692-87-7 hex-5-enyl hydroperoxide 

Downstream Products

• 821-41-0 5-Hexen-1-ol 
• 871-68-1 Diacetat des Hepten-(3)-diols-(1,7) 
• 74-85-1 ethene 
• 63318-28-5 (E)-dimethyl icos-10-enedioate 
• 76293-62-4 1,10-diacetoxy-5-decene 
• 76293-64-6 (E)-15-Acetoxy-pentadec-10-enoic acid methyl ester 
• 111-29-5 1 ,5-pentanediol 
• 629-11-8 1,6-hexanediol 
• 16504-87-3 Dodec-7-in-1-yl acetat 
• 50273-81-9 6-acetoxy-2-methyl-hexanal 
• 29425-54-5 acetic acid 7-oxo-heptyl ester 

Relevant articles and documents

Intramolecular Addition of Alkoxy Radicals. Part 4. Reductive Cyclisation of Olefinic Hydroperoxides

Pent-4-enyl hydroperoxide reacts with reducing salts (FeX2, TiCl3) to afford tetrahydrofurfuryl compounds (halides or dimers) in high yield from the selective cyclisation of the pent-4-enyloxy radical.Analogous behaviour is observed for photolysis although the yields of cyclic products are lower.The photolysis of hex-5-enyl hydroperoxide does not yield cyclic products but these are observed when this hydroperoxide is reduced by FeCl2.It is suggested that metallic salts are able to complex the alkoxyl radicals thereby making them more electrophilic and hence more prone to cyclise.