3681-73-0

Basic information

• Product Name: Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)-
• Synonyms: Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)-;3,7-dimethyl-2,6-octadienyl ester, (E)-Hexadecanoic acid;(E)-3,7-dimethyl-2,6-octadienylhexadecanoate
• CAS NO: 3681-73-0
• Molecular Formula: C26H48O2
• Molecular Weight: 392.65812
• EINECS: 421-370-3
• Mol File: 3681-73-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 476.8°C at 760 mmHg
• Flash Point: 89.6°C
• Appearance: /
• Density: 0.876g/cm³
• Vapor Pressure: 2.95E-09mmHg at 25°C
• Refractive Index: 1.465
• CAS DataBase Reference: Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)-(CAS DataBase Reference)
• NIST Chemistry Reference: Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)-(3681-73-0)
• EPA Substance Registry System: Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)-(3681-73-0)

Safety Data

• Hazard Codes: Xi
• Statements: 38-53
• Safety Statements: 37-61
• Hazardous Substances Data: 3681-73-0(Hazardous Substances Data)

Usage

General Description

Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)- is a chemical compound commonly known as (E)-Nerolidol. It is a naturally occurring sesquiterpene alcohol found in various essential oils, including neroli, ginger, and jasmine. It is used in the fragrance and flavor industry due to its pleasant floral and woody aroma. (E)-Nerolidol also possesses antimicrobial, antifungal, and antioxidant properties, making it a potential candidate for use in pharmaceutical and cosmetic products. Additionally, it has been studied for its potential as a therapeutic agent in the treatment of various health conditions, including inflammation and cancer.

InChI:InChI=1/C26H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h19,22H,5-18,20-21,23H2,1-4H3/b25-22+

Upstream product

• 106-24-1 Geraniol 
• 57-10-3 1-hexadecylcarboxylic acid 
• 112-67-4 n-hexadecanoyl chloride 

Relevant articles and documents

Regioselective epoxidation of geranyl palmitate with metachloroperbenzoic acid

Oxidation of geranyl palmitate (3) with m-chloroperbenzoic acid in dichloromethane gave 6,7-epoxygeranyl palmitate (4) regioselectively, which was saponified to 6,7-epoxygeraniol (5).

Geraniol aliphatic ester derivative and application and preparation method thereof

The invention belongs to the technical field of medicines and relates to a geraniol aliphatic ester derivative and an application and a preparation method thereof. Geraniol aliphatic ester is obtained by performing an esterification reaction on geraniol and straight chain aliphatic ester. The method comprises the following steps: firstly, performing a reaction on fatty acid and thionyl chloride to prepare acyl chloride; and then performing a reaction on acyl chloride and geraniol to prepare the geraniol aliphatic ester. The geraniol aliphatic ester can be used as a penetration enhancer on external preparations such as a patch, cataplasm, an ointment, a gel and a spray, so that the percutaneous absorptive amount of drugs is improved, and the geraniol aliphatic ester derivative s a good percutaneous absorptive penetration enhancer and has a wide application prospect.

Ester Synthesis by Crude Lipase Preparation from Pseudomonas fragi 22.39 B in n-Hexane

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