92155-95-8

Basic information

• Product Name: DIETHYL (2-METHYLPENTYL)MALONATE
• Synonyms: DIETHYL (2-METHYLPENTYL)MALONATE
• CAS NO: 92155-95-8
• Molecular Formula: C13H24O4
• Molecular Weight: 244.33
• Mol File: 92155-95-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 267°C at 760 mmHg
• Flash Point: 116.3°C
• Appearance: /
• Density: 0.974g/cm³
• Vapor Pressure: 0.00835mmHg at 25°C
• Refractive Index: 1.437
• CAS DataBase Reference: DIETHYL (2-METHYLPENTYL)MALONATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIETHYL (2-METHYLPENTYL)MALONATE(92155-95-8)
• EPA Substance Registry System: DIETHYL (2-METHYLPENTYL)MALONATE(92155-95-8)

Safety Data

• Hazardous Substances Data: 92155-95-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H24O4/c1-5-8-10(4)9-11(12(14)16-6-2)13(15)17-7-3/h10-11H,5-9H2,1-4H3

Upstream product

• 996-82-7 sodium diethylmalonate 
• 25346-33-2 1-bromo-2-methylpentane 
• 31294-94-7 2-methylpentanyl iodide 
• 854833-30-0 (2-methyl-pentylidene)-malonic acid diethyl ester 
• 64-17-5 ethanol 
• 105-53-3 diethyl malonate 
• 39255-32-8 manzanate 
• 55898-43-6 methylpropylpropanedioic acid diethyl ester 
• 123-15-9 2-methylvaleraldehyde 
• 105-30-6 2-methylpentan-1-ol 

Downstream Products

• 3302-03-2 4-Methyl-heptansaeure 
• 817-91-4 4-methyl-1-heptanol 
• 88467-55-4 1-bromo-4-methylheptane 

Relevant articles and documents

Synthesis and mass spectra of rearrangement bio-signature metabolites of anaerobic alkane degradation via fumarate addition

Metabolite profiling in anaerobic alkane biodegradation plays an important role in revealing activation mechanisms. Apart from alkylsuccinates, which are considered to be the usual biomarkers via fumarate addition, the downstream metabolites of C-skeleton rearrangement can also be regarded as biomarkers. However, it is difficult to detect intermediate metabolites in both environmental samples and enrichment cultures, resulting in lacking direct evidence to prove the occurrence of fumarate addition pathway. In this work, a synthetic method of rearrangement metabolites was established. Four compounds, namely, propylmalonic acid, 2-(2-methylbutyl)malonic acid, 2-(2-methylpentyl)malonic acid and 2-(2-methyloctyl)malonic acid, were synthesized and determined by four derivatization approaches. Besides, their mass spectra were obtained. Four characteristic ions were observed at m/z 133 + 14n, 160 + 28n, 173 + 28n and [M - (45 + 14n)]+ (n = 0 and 2 for ethyl and n-butyl esters, respectively). For methyl esterification, mass spectral features were m/z 132, 145 and [M - 31]+, while for silylation, fragments were m/z 73, 147, 217, 248, 261 and [M - 15]+. These data provide basis on identification of potential rearrangement metabolites in anaerobic alkane biodegradation via fumarate addition.