Mono(2-ethyl-5-hydroxyhexyl) Phthalate (Mixture of Diastereomers)

• CAT Number: R047420
• CAS Number: 40321-99-1
• Molecular Formula: C16H22O5
• Molecular Weight: 294.35
• Purity: ≥95%
• Synonyms: Mono-2-ethyl-5-hydroxyhexyl Phthalate; 1,2-Benzenedicarboxylic Acid Mono(2-ethyl-5-hydroxyhexyl) Ester; 1,2-Benzenedicarboxylic Acid 1-(2-Ethyl-5-hydroxyhexyl) Ester; 5-OH-MEHP; MEHHP
• Storage: -20°C
• IUPAC Name: 2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid
• InChI: InChI=1S/C16H22O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,11-12,17H,3,8-10H2,1-2H3,(H,18,19)
• InChIKey: RYPQSGURZSTFSX-UHFFFAOYSA-N
• SMILES: CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O

Mono(2-ethyl-5-hydroxyhexyl) phthalate（Cat No.:R047420）is a metabolite of certain phthalate plasticizers, such as di(2-ethylhexyl) phthalate (DEHP), and exists as a mixture of diastereomers due to the presence of multiple chiral centers. It features a phthalate core esterified with a hydroxyalkyl side chain. This compound appears as a viscous liquid or solid and is primarily used in toxicological and environmental research to monitor human exposure to phthalates. It serves as a biomarker in urine analysis and is studied for its potential endocrine-disrupting effects, particularly in developmental and reproductive health assessments.