CAS 352431-42-6

1,2-Benzene-3,4,5,6-d4-dicarboxylicacid, bis[2-(ethyl-d5)hexyl-1,1,2,3,3,4,4,5,5,6,6,6-d12] ester (9CI)

Description:

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, bis[2-(ethyl-d5)hexyl-1,1,2,3,3,4,4,5,5,6,6,6-d12] ester (9CI) is a complex organic compound characterized by its structure, which includes a benzene ring with deuterated carboxylic acid groups and ester functionalities. The presence of deuterium isotopes (d4 and d12) indicates that this compound is isotopically labeled, which can be useful in various analytical applications, including tracing and studying metabolic pathways. The ester groups suggest that the compound may exhibit hydrophobic properties, making it potentially useful in applications such as plasticizers or additives in polymers. Its molecular structure likely contributes to its stability and solubility characteristics, which are important for its functionality in various chemical processes. Additionally, the presence of ethyl-d5 groups indicates that the compound may have specific interactions with biological systems or materials, making it of interest in both industrial and research contexts. Overall, this compound exemplifies the complexity and utility of isotopically labeled organic molecules in chemistry.

Formula: C₂₄D₃₈O₄

InChI: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D,12D,13D2,14D2,15D,16D,17D2,18D2,19D,20D

InChI key: BJQHLKABXJIVAM-STYFRGAJSA-N

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

Synonyms:

• Bis(2-Ethylhexyl) Phthalate-D38

Bis[(±)-2-ethylhexyl]Phthalate-d38

Controlled Product

CAS: 117-81-7, 352431-42-6

Formula: C₆D₄COOCD₂CD(CD₂CD₃)(CD₂)₃CD₃

Purity: 98 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 254.28597

Ref: 3U-D5263

Bis[(±)-2-ethylhexyl] Phthalate-d38

Controlled Product

CAS: 352431-42-6

Applications Bis[(±)-2-ethylhexyl] Phthalate-d38 (CAS# 352431-42-6) is a useful isotopically labeled research compound.

Formula: C₂₄D₃₈O₄

Color and Shape: Neat

Molecular weight: 428.7903

Ref: TR-B433856