73077-91-5

Basic information

• Product Name: allyl 6-hydroxyhexanoate
• Synonyms: allyl 6-hydroxyhexanoate;6-Hydroxyhexanoic acid 2-propenyl ester
• CAS NO: 73077-91-5
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.22154
• EINECS: 277-278-7
• Mol File: 73077-91-5.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 249.6°C at 760 mmHg
• Flash Point: 97.3°C
• Appearance: /
• Density: 0.994g/cm³
• Vapor Pressure: 0.00363mmHg at 25°C
• Refractive Index: 1.452
• CAS DataBase Reference: allyl 6-hydroxyhexanoate(CAS DataBase Reference)
• NIST Chemistry Reference: allyl 6-hydroxyhexanoate(73077-91-5)
• EPA Substance Registry System: allyl 6-hydroxyhexanoate(73077-91-5)

Safety Data

• Hazardous Substances Data: 73077-91-5(Hazardous Substances Data)

Usage

Aroma

Fruity, sweet, slightly floral

Natural Sources

Found in various fruits such as apple, apricot, cherry, and peach

Uses

Flavoring agent in the food and beverage industry
Ingredient in perfumes and cosmetics for its pleasant scent

Potential Properties

Antimicrobial: Studied for potential antimicrobial properties
Antioxidant: Studied for potential antioxidant properties

Caution

High concentrations can cause skin and eye irritation.

InChI:InChI=1/C9H16O3/c1-2-8-12-9(11)6-4-3-5-7-10/h2,10H,1,3-8H2

Upstream product

• 1191-25-9 6-Hydroxyhexanoic acid 
• 107-18-6 allyl alcohol 

Relevant articles and documents

Total synthesis and properties of the crambescidin core zwitterionic acid and crambescidin 359

The total synthesis of the crambescidin core acid 9, crambescidins 359 (8) and 431 (7), and the properties of the crambescidin core are described. A key step of the synthetic route to guanidinium carboxylate 9 is Pd(0) catalyzed cleavage of the ester side chain of pentacyclic cinnamyl ester 15. This ester is also employed to prepare a small library of crambescidin alkaloid analogues that differ in their C14 side chain. The zwitterionic guanidinium carboxylate 9 was shown to readily decarboxylate to form crambescidin 359 (8). Decarboxylation of crambescidin core acid 9 was fastest under basic conditions. In the presence of base, up to eight deuterium atoms can be incorporated into the pentacyclic crambescidin core. Both deuterium incorporation and decarboxylation of crambescidin core acid 9 are the result of facile ring opening of the spirocyclic ether rings of the pentacyclic guanidinium moiety.