CAS 82975-93-7

Mono[2-(carboxymethyl)hexyl] phthalate

Description:

Mono[2-(carboxymethyl)hexyl] phthalate, with the CAS number 82975-93-7, is an organic compound that belongs to the class of phthalate esters. It is characterized by the presence of a phthalate moiety, which is a diester derived from phthalic acid, and a carboxymethyl-hexyl side chain. This compound typically exhibits properties such as being a colorless to pale yellow liquid, with moderate solubility in water and good solubility in organic solvents. Its structure suggests it may have applications in various fields, including as a plasticizer in polymers, due to its ability to enhance flexibility and durability. Additionally, the presence of carboxymethyl groups may impart some degree of hydrophilicity, influencing its interactions in biological systems. Safety and environmental considerations are important, as phthalates are often scrutinized for their potential endocrine-disrupting effects. Therefore, understanding its chemical behavior, stability, and potential toxicity is crucial for its application and regulation in consumer products.

Formula: C₁₆H₂₀O₆

InChI: InChI=1S/C16H20O6/c1-2-3-6-11(9-14(17)18)10-22-16(21)13-8-5-4-7-12(13)15(19)20/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,18)(H,19,20)

InChI key: InChIKey=CCNOZWPVQWCJFK-UHFFFAOYSA-N

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

Synonyms:

• 1,2-Benzenedicarboxylic acid, 1-[2-(carboxymethyl)hexyl] ester
• Mono[2-(carboxymethyl)hexyl] phthalate
• 1,2-Benzenedicarboxylic acid, mono[2-(carboxymethyl)hexyl] ester

Mono[2-(carboxymethyl)hexyl] Phthalate

Controlled Product

CAS: 82975-93-7

Stability Hygroscopic
Applications An oxidative metabolite of Bis(2-ethylhexyl)phthalate (DEHP) (B433850), as biomarker for human exposure assessment.
References Gray, T., et al.: Toxicol. Lett., 11, 141 (1982), Albro, P., et al.: Drug Metab. Rev., 21, 13 (1989), Gray, L., et al.: Toxicol. Sci., 58, 350 (2000),

Formula: C₁₆H₂₀O₆

Color and Shape: Light Yellow To Yellow

Molecular weight: 308.33

Ref: TR-M525585