CAS 1373125-93-9

1-(7-Carboxy-2-methyloctyl) 1,2-benzenedicarboxylate

Description:

1-(7-Carboxy-2-methyloctyl) 1,2-benzenedicarboxylate, identified by its CAS number 1373125-93-9, is an organic compound characterized by its complex structure, which includes a benzenedicarboxylate moiety and a long aliphatic chain. This compound features two carboxyl groups attached to a benzene ring, contributing to its potential as a polar molecule, while the aliphatic chain enhances its hydrophobic characteristics. The presence of the carboxylic acid functional group suggests that it may exhibit acidic properties and can participate in hydrogen bonding, influencing its solubility in various solvents. Additionally, the branched alkyl chain may affect its physical properties, such as melting and boiling points, as well as its behavior in biological systems. This compound could have applications in fields such as materials science, pharmaceuticals, or as a surfactant, depending on its specific interactions and reactivity. Further studies would be necessary to fully elucidate its properties and potential uses.

Formula: C₁₈H₂₄O₆

InChI: InChI=1S/C18H24O6/c1-12(7-3-4-8-13(2)16(19)20)11-24-18(23)15-10-6-5-9-14(15)17(21)22/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,19,20)(H,21,22)

InChI key: InChIKey=RELGYNUSJXUKGN-UHFFFAOYSA-N

SMILES: C(OCC(CCCCC(C(O)=O)C)C)(=O)C1=C(C(O)=O)C=CC=C1

Synonyms:

• 1,2-Benzenedicarboxylic acid, 1-(7-carboxy-2-methyloctyl) ester
• Monocarboxynonyl phthalate
• Mono(7-carboxy-2,7-dimethylheptyl) phthalate
• 1-(7-Carboxy-2-methyloctyl) 1,2-benzenedicarboxylate

Mono-(7-carboxy-2,7-dimethylheptyl) Phthalate

Controlled Product

CAS: 1373125-93-9

Formula: C₁₈H₂₄O₆

Color and Shape: Neat

Molecular weight: 336.38

Ref: TR-M525615

Mono-(7-carboxy-2,7-dimethylheptyl) Phthalate-d4

Controlled Product

CAS: 1373125-93-9

Formula: C₁₈D₄H₂₀O₆

Color and Shape: Neat

Molecular weight: 340.404

Ref: TR-M525617