10126-68-8

Basic information

• Product Name: 4-heptadecylidene-3-hexadecyloxetan-2-one
• Synonyms: 4-heptadecylidene-3-hexadecyloxetan-2-one;cetylketene dimer;4-(Heptadecan-1-ylidene)-3-hexadecyloxetan-2-one;Aquapel
• CAS NO: 10126-68-8
• Molecular Formula: C₃₆H₆₈O₂
• Molecular Weight: 532.92392
• EINECS: 233-347-3
• Mol File: 10126-68-8.mol
• Article Data: 2

Chemical Properties

• Melting Point: 62-63 °C
• Boiling Point: 627.2 °C at 760 mmHg
• Flash Point: 262.6 °C
• Appearance: /
• Density: 0.9 g/cm³
• Vapor Pressure: 1.21E-15mmHg at 25°C
• Refractive Index: 1.486
• CAS DataBase Reference: 4-heptadecylidene-3-hexadecyloxetan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-heptadecylidene-3-hexadecyloxetan-2-one(10126-68-8)
• EPA Substance Registry System: 4-heptadecylidene-3-hexadecyloxetan-2-one(10126-68-8)

Safety Data

• RIDADR: 2810
• HazardClass: 6.1(a)
• PackingGroup: II
• Hazardous Substances Data: 10126-68-8(Hazardous Substances Data)

Usage

General Description

4-heptadecylidene-3-hexadecyloxetan-2-one is a chemical compound with a long and complex name, often used as a flavouring agent in the food industry. It is a ketone compound with a carbon chain consisting of 17 carbon atoms in one end and 16 carbon atoms in the other end. The compound is derived from natural sources and is commonly used as a fragrance and flavouring agent in food products, cosmetics and personal care products. Its chemical structure and long carbon chain make it suitable for use in a variety of applications and it is known for its pleasant scent and flavour. Additionally, it also has potential applications in the pharmaceutical and agricultural industries as well.

InChI:InChI=1/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3/b35-33-

Upstream product

• 112-76-5 Stearoyl chloride 

Downstream Products

• 108034-98-6 (S)-3-(4-tert-Butoxy-phenyl)-2-(2-hexadecyl-3-oxo-icosanoylamino)-propionic acid tert-butyl ester 
• 108034-99-7 (S)-2-(2-Hexadecyl-3-oxo-icosanoylamino)-3-phenyl-propionic acid tert-butyl ester 
• 504-53-0 di-n-heptadecyl ketone 
• 108035-06-9 (S)-3-(4-tert-Butoxy-phenyl)-2-(2-hexadecyl-3-hydroxy-icosanoylamino)-propionic acid tert-butyl ester 
• 108058-37-3 (S)-2-(2-Hexadecyl-3-hydroxy-icosanoylamino)-3-phenyl-propionic acid tert-butyl ester 
• 74124-36-0 2-hexadecyl-3-hydroxyeicosanoic acid 

Relevant articles and documents

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Synthesis of mycolic acid biosurfactants and their physical and surface-active properties

Five mycolic acids [2-alkyl-3-hydroxy FA: R 1C*H(OH)C*HR2COOH] were synthesized using acyl chlorides with alkyl chains of different lengths (total carbon numbers of mycolic acids, 12, 16, 20, 24, 36). The relationship between the chemical structures of the mycolic acids and their surface-active properties was determined. The acids were synthesized in three steps: (i) dimerization of acyl chloride into alkyl ketene dimer, (ii) selective reduction of C=C to C-C by hydrogenation, and (iii) βlactone ring cleavage under alkaline conditions. The yields of C12-, C16-, C20-, C 24-, and C36-mycolic acid were 72, 73, 73, 73, and 73%, respectively. The critical micelle concentrations (CMC) of C12-, C16-, and C20-mycolic acid were 2.2 × 10 -4, 1.36 × 10-4, and 7.4 × 10-5 M, respectively. As the carbon number increased, the surface tension at the CMC value was also lower; the values for C12-, C16-, and C20-mycolic acid were 46.54, 43.59, and 41.57 dyn/cm, respectively. The emulsifying activities of mycolic acids were determined for n-tetradecane, n-hexadecane, cyclohexane, and diesel oil. The results showed that C 12-mycolic acid was the best emulsifier for diesel oil, C 16-mycolic acid was the best emulsifier for n-tetradecane and n-hexadecane, and C20-mycolic acid was the best emulsifier for cyclohexane. This study showed that mycolic acids having surface-active properties can be chemically synthesized for potential applications in the detergent/cleaning material industries, for example, in oil spill cleanup, oil recovery, textiles, pharmaceuticals, and cosmetics. Copyright