111-06-8

Basic information

• Product Name: PALMITIC ACID N-BUTYL ESTER
• Synonyms: PALMITIC ACID N-BUTYL ESTER 95+%;Hexadecanoic acid, n-butyl ester;Butyl stearate, mixture of ca. 55-65% stearyl- and 25-40% cetyl-;Palmitic acid butyl;PALMITIC ACID N-BUTY;Butyl ester of hexadecanoic acid;Butylpalmittate;Hexadecanoicacid,butylester
• CAS NO: 111-06-8
• Molecular Formula: C₂₀H₄₀O₂
• Molecular Weight: 312.53
• EINECS: 203-829-8
• Mol File: 111-06-8.mol
• Article Data: 23

Chemical Properties

• Melting Point: 16.9°C
• Boiling Point: 170 °C / 10mmHg
• Flash Point: 14 °C
• Appearance: /
• Density: 0.86
• Vapor Pressure: 1.94E-05mmHg at 25°C
• Refractive Index: 1.4400 to 1.4440
• CAS DataBase Reference: PALMITIC ACID N-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: PALMITIC ACID N-BUTYL ESTER(111-06-8)
• EPA Substance Registry System: PALMITIC ACID N-BUTYL ESTER(111-06-8)

Safety Data

• Hazardous Substances Data: 111-06-8(Hazardous Substances Data)

Usage

Uses

Butyl Palmitate is plasticizer compound.

InChI:InChI=1/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3

Upstream product

• 542-69-8 1-iodo-butane 
• 3508-01-8 silver palmitate 
• 41755-60-6 benzyl hexadecanoate 
• 71-36-3 butan-1-ol 
• 1492-30-4 4-nitrophenyl palmitate 
• 112-67-4 n-hexadecanoyl chloride 
• 57-10-3 1-hexadecylcarboxylic acid 
• 112-39-0 hexadecanoic acid methyl ester 
• 67-56-1 methanol 
• 555-44-2 glyceroltripalmitate 
• 112-41-4 1-dodecene 
• 1120-36-1 1-tetradecene 
• 872-05-9 1-Decene 
• 821-95-4 1-undecene 

Downstream Products

• 112-42-5 undecyl alcohol 
• 629-76-5 pentadecanol 
• 112-53-8 1-dodecyl alcohol 
• 112-70-9 tridecan-1-ol 
• 112-72-1 1-Tetradecanol 
• 36653-82-4 1-Hexadecanol 

Relevant articles and documents

Esterification of stearic acid by isomeric forms of butanol in a microwave oven under homogeneous and heterogeneous reaction conditions

In this paper the influence of conventional and dielectric heating on the esterification of stearic acid by butanol has been studied. The influences of different isomeric forms of butanol, a catalyst and conditions of reaction (homogeneous versus heterogeneous) upon esterification have been investigated. The difference between conventionally or dielectrically heated reactions has been studied. For heterogeneous reactions a significant temperature enhancement effect is observed. This effect can be enlarged by the application of heat captors, which have been mixed or impregnated with catalyst. Further rate enhancements are realised by the use of a combination of microwave heating and ultrasound for heterogeneously catalysed reactions.

Hydrothermal saline promoted grafting: A route to sulfonic acid SBA-15 silica with ultra-high acid site loading for biodiesel synthesis

A simple grafting protocol is reported which affords a ten-fold enhancement in acid site density of mesoporous sulfonic acid silicas compared to conventional syntheses, offering improved process efficiency and new opportunities for tailored supported solid acids in sustainable chemistry. This journal is

Utilization of derivatives of thiazolidine-2-thione: Esterification

-

Charge-remote and charge-proximate fragmentation processes in alkali- cationized fatty acid esters upon high-energy collisional activation. A new mechanistic proposal

The effect of the metal ion on the high-energy collision-induced dissociation (CID) of alkali metal-cationized n-butyl and methyl ester derivatives of palmitic and oleic acid was examined. The results show that the alkali metal ion has a pronounced effect and does not act as a mere 'spectator' ion with respect to the fragmentation process. While C-H cleavage is a dominant process for [M + Li]+ as well as [M + Na]+ precursor ions, C- C cleavage is also significant for the [M + Na]+ ions. Homolytic mechanisms involving the formation of a transient biradical cation are proposed which enable us to rationalize in a straightforward manner all product ions formed by both charge-remote and charge-proximate fragmentations. The mechanistic proposal is discussed in view of available knowledge on electron impact, CID and related processes. In order to predict how the alkali metal ion could affect the reactivity of the postulated biradical state formed following electronic excitation of the alkali metal-cationized molecules, quantum chemical calculations were performed on methyl and n-butyl acetate as model substances. The decreased spin density at the carbonyl oxygen atom in the biradical state may provide an explanation for the greater tendency towards C-C cleavage reactions of the sodium-cationized fatty acid esters relative to the corresponding lithium complexes.

Development and Validation of a Novel Free Fatty Acid Butyl Ester Gas Chromatography Method for the Determination of Free Fatty Acids in Dairy Products

Accurate quantification of free fatty acids in dairy products is important for both product quality control and legislative purposes. In this study, a novel fatty acid butyl ester method was developed, where extracted free fatty acids are converted to butyl esters prior to gas chromatography with flame ionization detection. The method was comprehensively validated to establish linearity (20-700 mg/L; R2 > 0.9964), limits of detection (5-8 mg/L), limits of quantification (15-20 mg/L), accuracy (1.6-5.4% relative error), interday precision (4.4-5.3% relative standard deviation), and intraday precision (0.9-5.6% relative standard deviation) for each individual free fatty acid. A total of 17 dairy samples were analyzed, covering diverse sample matrices, fat content, and degrees of lipolysis. The method was compared to direct on-column injection and fatty acid methyl ester methods and overcomes limitations associated with these methods, such as either column-phase absorption or deterioration, accurate quantification of short-chain free fatty acids, and underestimation of polyunsaturated free fatty acid.

Use of metal-accumulating plants for implementing chemical reactions

The use of metal-accumulating plants for implementing chemical reactions.