14620-36-1

Basic information

• Product Name: METHYL 6-TRANS-OCTADECENOATE
• Synonyms: METHYL 6-TRANS-OCTADECENOATE;OCTADECENOIC ACID, TRANS-6-;PETROSELAIDIC ACID METHYL ESTER(RG);Methyl petroselaidate;Methyl pestroselaidate, Methyl trans-6-octadecenoate;trans-6-Octadecenoic acid methyl ester ;Methyl pestroselaidate;Methyl trans-6-Octadecenoate
• CAS NO: 14620-36-1
• Molecular Formula: C₁₉H₃₆O₂
• Molecular Weight: 296.491
• EINECS: 220-470-2
• Mol File: 14620-36-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 19°C(lit.)
• Boiling Point: 164-165℃ (2-3 Torr)
• Flash Point: -1 °C
• Appearance: /
• Density: 0.873g/cm³
• Vapor Pressure: 1.07E-05mmHg at 25°C
• Refractive Index: 1.4490 to 1.4530
• Storage Temp.: ?20°C
• CAS DataBase Reference: METHYL 6-TRANS-OCTADECENOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 6-TRANS-OCTADECENOATE(14620-36-1)
• EPA Substance Registry System: METHYL 6-TRANS-OCTADECENOATE(14620-36-1)

Safety Data

• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62
• Hazardous Substances Data: 14620-36-1(Hazardous Substances Data)

Usage

General Description

METHYL 6-TRANS-OCTADECENOATE is a chemical compound that belongs to the group of esters, which are formed by the reaction between acids and alcohols. It is a colorless liquid with a fruity odor, commonly used in the fragrance and flavor industry. This chemical is primarily found in fruits such as banana and pineapple and is used as a flavoring agent in food products and beverages. It is also used in the production of perfumes and cosmetics due to its pleasant aroma. Additionally, it has potential applications in the pharmaceutical and agricultural industries.

InChI:InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13+

Upstream product

• 2777-58-4 methyl petroselinate 
• 18287-20-2 methyl linoleate 
• 67-56-1 methanol 
• 593-40-8 Petroselaidic acid 

Relevant articles and documents

One-electron reduction of methanesulfonyl chloride. The fate of MeSO 2CI?- and MeSO2? intermediates in oxygenated solutions and their role in the cis-trans isomerization of mono-unsaturated fatty acids

The one-electron reduction of methanesulfonyl chloride (MeSO2Cl) leads, in the first instance, to an electron adduct MeSO2Cl ?- which lives long enough for direct detection and decays into sulfonyl radicals MeSO2? and Cl-, with k = 1.5 × 106 s-1. Both, MeSO2Cl ?- and MeSO2? showed a similar absorption in the UV with λmax of 320 nm. In the presence of oxygen, MeSO 2Cl?- transfers an electron to O2 and establishes an equilibrium with superoxide. The rate constant for the forward reaction was measured to 4.1 × 109 M-1 s -1, while for the back reaction only an interval of 1.7 × 105 to 1.7 × 106 M-1 s-1 could be estimated, with a somewhat higher degree of confidence for the lower value. This corresponds to an equilibrium constant in the range of 2.4 × 10 3 to 2.4 × 104. With reference to E°(O 2/O2?-) = -155 mV, the redox potential of the sulfonyl chloride couple, E°(MeSO2Cl/MeSO2Cl ?-), thus results between being equal to -355 and -414 mV (vs NHE). MeSO2Cl?- reduces (besides O2) 4-nitroacetophenone. The underlying electron transfer took place with k = 1.5 × 109 M-1 s-1, corroborating an E° for the sulfonyl chloride couple significantly exceeding the above listed lower value. The MeSO2? radical added to oxygen with a rate constant of 1.1 × 109 M-1 s-1. Re-dissociation of O2 from MeSO2OO? occurred only very slowly, if at all, that is, with k ? 105 s-1. MeSO 2? radicals can act as the catalyst for the cis-trans isomerization of several Z- and E-mono-unsaturated fatty acid methyl esters in homogeneous solution. The effectiveness of the isomerization processes has been addressed, and in the presence of oxygen the isomerization is completely suppressed.