CAS 117-47-5

1,3-Diethyl 2-(1-methylbutyl)propanedioate

Description:

1,3-Diethyl 2-(1-methylbutyl)propanedioate, with the CAS number 117-47-5, is an organic compound belonging to the class of diesters. It features a propanedioate backbone, which is characterized by two ester functional groups attached to a central propane chain. The presence of ethyl groups at the 1 and 3 positions, along with a 1-methylbutyl substituent at the 2 position, contributes to its unique structural and chemical properties. This compound is typically a colorless to pale yellow liquid with a fruity odor, indicative of its ester nature. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic alkyl chains. 1,3-Diethyl 2-(1-methylbutyl)propanedioate is often used in organic synthesis and may serve as an intermediate in the production of various chemicals. Its reactivity is influenced by the presence of the ester groups, making it susceptible to hydrolysis and transesterification reactions under appropriate conditions. Safety data should be consulted for handling and exposure guidelines.

Formula: C₁₂H₂₂O₄

InChI: InChI=1S/C12H22O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3

InChI key: InChIKey=RQFSNEWORATSCC-UHFFFAOYSA-N

SMILES: C(C(CCC)C)(C(OCC)=O)C(OCC)=O

Synonyms:

• 1,3-Diethyl 2-(1-methylbutyl)propanedioate
• 1-(Methylbutyl)malonic acid diethyl ester
• Diethyl (1-methylbutyl)malonate
• Diethyl 1-methylbutylmalonate
• Diethyl 2-(pentan-2-yl)malonate
• Diethyl Pentan-2-Ylpropanedioate
• Malonic acid, (1-methylbutyl)-, diethyl ester
• NSC 10820
• NSC 62700
• Propanedioic acid, (1-methylbutyl)-, diethyl ester
• Propanedioic acid, 2-(1-methylbutyl)-, 1,3-diethyl ester

PROPANEDIOIC ACID, 2-(1-METHYLBUTYL)-, 1,3-DIETHYL ESTER

CAS: 117-47-5

Formula: C₁₂H₂₂O₄

Purity: 97%

Color and Shape: Liquid

Molecular weight: 230.3007

Ref: IN-DA000DIN

1-Methylbutylmalonic Acid Diethyl Ester

CAS: 117-47-5

1-Methylbutylmalonic Acid Diethyl Ester

Purity: 97%

Molecular weight: 230.30g/mol

Ref: 54-OR1009538

Diethyl 1-Methylbutylmalonate

Controlled Product

CAS: 117-47-5

Applications Diethyl 1-Methylbutylmalonate is used in the in vitro reaction of barbiturates with formaldehyde to evaluate forensic toxicology on the cause of death.
References Gannet, P.M., et al.: J. Anal. Toxicol., 25, 443 (2001)

Formula: C₁₂H₂₂O₄

Color and Shape: Clear Colourless

Molecular weight: 230.3

Ref: TR-D444500