CAS 5398-08-3

Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester

Description:

Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester, commonly known by its CAS number 5398-08-3, is an organic compound characterized by its diester functional groups. This substance features a propanedioic acid backbone, which is a dicarboxylic acid, modified by the presence of a branched alkyl group (3-methylbutyl) at one end and two ethyl ester groups at the 1 and 3 positions. The presence of these ester groups contributes to its relatively low polarity, making it more soluble in organic solvents than in water. The branched alkyl chain enhances its hydrophobic characteristics, influencing its physical properties such as boiling point and melting point. This compound may exhibit moderate to low toxicity, typical of many esters, and is likely to be used in various applications, including as a chemical intermediate in organic synthesis or in the production of specialty chemicals. Its reactivity can be attributed to the presence of the ester functional groups, which can undergo hydrolysis or transesterification under appropriate conditions.

Formula: C₁₂H₂₂O₄

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

InChI key: InChIKey=MPJCIHOJXMCSIM-UHFFFAOYSA-N

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

Synonyms:

• (3-Methylbutyl)propanedioic acid diethyl ester
• 1,3-Diethyl 2-(3-methylbutyl)propanedioate
• Diethyl (3-Methylbutyl)Propanedioate
• Diethyl 2-isopentylmalonate
• Diethyl 3-methylbutylmalonate
• Diethyl Isopentylmalonate
• Malonic acid, isopentyl-, diethyl ester
• NSC 4569
• Propanedioic acid, (3-methylbutyl)-, diethyl ester
• Propanedioic acid, 2-(3-methylbutyl)-, 1,3-diethyl ester
• Diethyl isoamylmalonate

Propanedioic acid, (3-methylbutyl)-, diethyl ester

CAS: 5398-08-3

Formula: C₁₂H₂₂O₄

Purity: 96%

Color and Shape: Liquid

Molecular weight: 230.3007

Ref: IN-DA00I9MP

Diethyl (3-methylbutyl)malonate

CAS: 5398-08-3

Diethyl (3-methylbutyl)malonate

Purity: 95%

Molecular weight: 230.3g/mol

Ref: 54-OR1004226

Diethyl 2-isopentylmalonate

CAS: 5398-08-3

Purity: 96%

Molecular weight: 230.3040009

Ref: 10-F752769