2177-86-8

Basic information

• Product Name: METHYL 2-METHYLOCTANOATE
• Synonyms: METHYL 2-METHYLOCTANOATE;2-Methyloctanoic acid methyl ester;Methyl ester of 2-methyloctanoic acid;Octanoic acid, 2-methyl-, methyl ester;7-methylcaprylic acid methyl ester
• CAS NO: 2177-86-8
• Molecular Formula: C₁₀H₂₀O₂
• Molecular Weight: 172.26
• Mol File: 2177-86-8.mol
• Article Data: 29

Chemical Properties

• Boiling Point: 195.7 °C at 760 mmHg
• Flash Point: 71.4 °C
• Appearance: /
• Density: 0.872 g/cm³
• Vapor Pressure: 0.413mmHg at 25°C
• Refractive Index: 1.421
• CAS DataBase Reference: METHYL 2-METHYLOCTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-METHYLOCTANOATE(2177-86-8)
• EPA Substance Registry System: METHYL 2-METHYLOCTANOATE(2177-86-8)

Safety Data

• Hazardous Substances Data: 2177-86-8(Hazardous Substances Data)

Usage

General Description

Methyl 2-methyloctanoate is a chemical compound with the molecular formula C9H18O2. It is a colorless liquid with a fruity odor and is commonly used as a flavor and fragrance ingredient in the food and beverage industry. It is also used as a chemical intermediate in the production of various other organic compounds. Methyl 2-methyloctanoate is known for its pleasant, fruity scent, which makes it a popular choice for adding a sweet and fruity aroma to products such as perfumes, soaps, and lotions. Additionally, it is used in the synthesis of pharmaceutical drugs and agrochemicals.

InChI:InChI=1/C10H20O2/c1-9(2)7-5-4-6-8-10(11)12-3/h9H,4-8H2,1-3H3

Upstream product

• 67-56-1 methanol 
• 111-67-1 2-octene 
• 124-38-9 carbon dioxide 
• 592-99-4 4-octene 
• 201230-82-2 carbon monoxide 
• 14850-22-7 oct-3-ene 
• 111-66-0 oct-1-ene 
• 3710-30-3 1,7-Octadiene 
• 64-18-6 formic acid 
• 14850-23-8 trans-4-Octene 
• 14919-01-8 (E)-3-octene 
• 107-31-3 Methyl formate 
• 629-27-6 1-Iodooctane 
• 111-85-3 n-chlorooctane 

Downstream Products

• 818-81-5 2-methyloctan-1-ol 
• 1610613-93-8 3,3′-O,O-(dotriacontane-1,32-diyl)bis{2-O-[(10RS)-10-methylhexadecyl]-sn-glycerol} 
• 1610613-90-5 1-O-benzyl-3-O-[(10RS)-10-methylheptadec-16-en-1-yl]-2-O-[(10RS)-methylhexadecyl]-sn-glycerol 
• 1610613-88-1 1-O-benzyl-3-O-(heptadec-16-en-1-yl)-2-O-[(10RS)-10-methylhexadecyl]-sn-glycerol 
• 117555-29-0 Toluene-4-sulfonic acid 2-methyl-octyl ester 
• 17001-26-2 (10RS)-10-methylhexadecanoic acid 
• 113711-63-0 1-(1-Methyl-heptyl)-cyclohexanol 
• 49642-49-1 2-methyl-1-octanal 

Relevant articles and documents

Sterically hindered (pyridyl)benzamidine palladium(II) complexes: Syntheses, structural studies, and applications as catalysts in the methoxycarbonylation of olefins

Reactions of ligands (E)-N′-(2,6-diisopropylphenyl)-N-(4-methylpyridin-2-yl)benzimidamide (L1), (E)-N′-(2,6-diisopropylphenyl)-N-(6-methylpyridin-2-yl)benzimidamide (L2), (E)-N′-(2,6-dimethylphenyl)-N-(6-methylpyridin-2-yl)benzimidamide (L3), (E)-N′-(2,6-dimethylphenyl)-N-(4-methylpyridin-2-yl)benzimidamide (L4), and (E)-N-(6-methylpyridin-2-yl)-N′-phenylbenzimidamide (L5) with [Pd(NCMe)2Cl2] furnished the corresponding palladium(II) precatalysts (Pd1–Pd5), in good yields. Molecular structures of Pd2 and Pd3 revealed that the ligands coordinate in a N^N bidentate mode to afford square planar compounds. Activation of the palladium(II) complexes with para-tolyl sulfonic acid (PTSA) afforded active catalysts in the methoxycarbonylation of a number of alkene. The resultant catalytic activities were controlled by the both the complex structure and alkene substrate. While aliphatic substrates favored the formation of linear esters (>70%), styrene substrate resulted in the formation of predominantly branched esters of up to 91%.

Palladium(II) complexes of (pyridyl)imine ligands as catalysts for the methoxycarbonylation of olefins

Reactions of 2-methoxy-N-((pyridin-2-yl)methylene)ethanamine (L1), 2-((pyridin-2-yl)methyleneamino)ethanol (L2) and 3-methoxy-N-((pyridin-2-yl)methylene)propan-1-amine (L3) ligands with either [PdCl2(COD)] or [PdCl(Me)(COD)] produced the corresponding monometallic complexes [PdCl2(L1)] (1), [PdClMe(L1)] (2), [PdCl2(L2)] (3) and [PdCl2(L3)] (4). The solid state structure of complex 1 confirmed the bidentate coordination mode of L1, giving a distorted square planar geometry. All the complexes (1–4) formed active catalysts for the methoxycarbonylation of higher olefins to give linear and branched esters. The catalytic behavior of complexes 1–4 were influenced by both the complex structure and olefin chain length.

A general platinum-catalyzed alkoxycarbonylation of olefins

Hydroxy- and alkoxycarbonylation reactions constitute important industrial processes in homogeneous catalysis. Nowadays, palladium complexes constitute state-of-the-art catalysts for these transformations. Herein, we report the first efficient platinum-catalysed alkoxycarbonylations of olefins including sterically hindered and functionalized ones. This atom-efficient catalytic transformation provides straightforward access to a variety of valuable esters in good to excellent yields and often with high selectivities. In kinetic experiments the activities of Pd- and Pt-based catalysts were compared. Even at low catalyst loading, Pt shows high catalytic activity.