CAS 1332965-96-4

1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate

Description:

1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate, identified by its CAS number 1332965-96-4, is a chemical compound characterized by its complex structure, which includes a benzene ring substituted with dicarboxylate groups and a long alkyl chain. The presence of deuterium (d4) indicates that four hydrogen atoms in the benzene ring have been replaced with deuterium isotopes, which can influence the compound's physical and chemical properties, such as its stability and reactivity. The long alkyl chain (7-methyloctyl) contributes to its hydrophobic characteristics, potentially affecting its solubility in various solvents and its behavior in biological systems. This compound may be of interest in fields such as organic chemistry, materials science, and pharmaceuticals, particularly in studies involving isotopic labeling or the development of new materials with specific properties. Its synthesis and applications would likely be explored in research contexts focusing on functionalized aromatic compounds.

Formula: C₁₇H₂₀D₄O₄

InChI: InChI=1S/C17H24O4/c1-13(2)9-5-3-4-8-12-21-17(20)15-11-7-6-10-14(15)16(18)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19)/i6D,7D,10D,11D

InChI key: InChIKey=RNCMBSSLYOAVRT-NWUDIVGLSA-N

SMILES: C(OCCCCCCC(C)C)(=O)C1=C(C(O)=O)C(=C(C(=C1[2H])[2H])[2H])[2H]

Synonyms:

• 1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate
• 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, 1-(7-methyloctyl) ester

1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-d4

Controlled Product

CAS: 1332965-96-4

Formula: C₁₇₂H₄H₂₀O₄

Color and Shape: Neat

Molecular weight: 296.39

Ref: TR-B185502