1113-92-4

Basic information

• Product Name: Ethylmalonic acid dibutyl ester
• Synonyms: 2-Ethylpropanedioic acid dibutyl ester;Ethylmalonic acid dibutyl ester
• CAS NO: 1113-92-4
• Molecular Formula: C₁₃H₂₄O₄
• Molecular Weight: 244.33
• Mol File: 1113-92-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 277.3°C at 760 mmHg
• Flash Point: 122.7°C
• Appearance: /
• Density: 0.975g/cm³
• Vapor Pressure: 0.00457mmHg at 25°C
• Refractive Index: 1.438
• PKA: 13.14±0.46(Predicted)
• CAS DataBase Reference: Ethylmalonic acid dibutyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Ethylmalonic acid dibutyl ester(1113-92-4)
• EPA Substance Registry System: Ethylmalonic acid dibutyl ester(1113-92-4)

Safety Data

• Hazardous Substances Data: 1113-92-4(Hazardous Substances Data)

Usage

General Description

Ethylmalonic acid dibutyl ester is an organic compound that is commonly used as a flavoring agent and fragrance ingredient. It is also utilized as a solvent in various industrial applications. This chemical is a clear, colorless liquid with a fruity odor and is insoluble in water but soluble in organic solvents. Ethylmalonic acid dibutyl ester is considered a relatively low-toxicity chemical, with limited evidence of adverse health effects. However, it should still be handled with caution and protective measures to minimize exposure.

InChI:InChI=1/C13H24O4/c1-4-7-9-16-12(14)11(6-3)13(15)17-10-8-5-2/h11H,4-10H2,1-3H3

Upstream product

• 601-75-2 ethylmalonic acid 
• 71-36-3 butan-1-ol 
• 504-64-3 carbon suboxide 
• 75-03-6 ethyl iodide 
• 2372-45-4 sodium butanolate 

Downstream Products

• 2518-72-1 5-ethyl barbituric acid 

Relevant articles and documents

Multiplexed LC-MS/MS analysis of methylsuccinic acid, ethylmalonic acid, and glutaric acid in plasma and urine

Low molecular-mass aliphatic carboxylic acids are critically important for intermediate metabolism and may serve as important biomarkers for metabolic homeostasis. Here in, we focused on multiplexed method development of aliphatic carboxylic analytes, including methylsuccinic acid (MSA), ethylmalonic acid (EMA), and glutaric acid (GA). Also assessed was their utility in a population's health as well as metabolic disease screening in both plasma and urine matrices. MSA, EMA, and GA are constitutional isomers of dicarboxylic acid with high polarity and poor ionization efficiency, resulting in such challenges as poor signal intensity and retention, particularly in reversed-phase liquid chromatography with electrospray mass spectrometry (RP-LC-ESI-MS/MS). Derivatization using n-butanol was performed in the sample preparation to enhance the signal intensity accompanied with a positive charge from ionization in complicated biomatrices as well as to improve the separation of these isomers with optimal retention. Fit-for-purpose method validation results demonstrated quantitative ranges for MSA/EMA/GA from 5/10/20 ng/mL to 400 ng/mL in plasma analysis, and 100/200/100 ng/mL to 5000/10000/5000 ng/mL in urine analysis. This validated method demonstrates future utility when exploring population health analysis and biomarker development in metabolic diseases.