40321-99-1

Basic information

• Product Name: MEHHP
• Synonyms: MEHHP;Mono(2-ethyl-5-hydroxyhexyl) Phthalate (Mixture of Diastereomers);1,2-Benzenedicarboxylic Acid 1-(2-Ethyl-5-hydroxyhexyl) Ester;1,2-Benzenedicarboxylic Acid Mono(2-ethyl-5-hydroxyhexyl) Ester;5-OH-MEHP
• CAS NO: 40321-99-1
• Molecular Formula: C₁₆H₂₂O₅
• Molecular Weight: 294.34288
• Product Categories: Aromatics;Metabolites & Impurities
• Mol File: 40321-99-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 463.7°Cat760mmHg
• Flash Point: 166.6°C
• Appearance: /
• Density: 1.16g/cm³
• Vapor Pressure: 2.13E-09mmHg at 25°C
• Refractive Index: 1.533
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• PKA: 3.37±0.36(Predicted)
• Stability: Hygroscopic
• BRN: 9208635
• CAS DataBase Reference: MEHHP(CAS DataBase Reference)
• NIST Chemistry Reference: MEHHP(40321-99-1)
• EPA Substance Registry System: MEHHP(40321-99-1)

Safety Data

• Hazardous Substances Data: 40321-99-1(Hazardous Substances Data)

Usage

Chemical Properties

Light Yellow to Brown Oil

Uses

Phthalate metabolite.

Definition

ChEBI: A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the primary hydroxy group of 2-ethylhexane-1,5-diol

InChI:InChI=1/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)

Upstream product

• 35650-55-6 2-ethyl-5-oxo-hexanal 
• 498572-78-4 1-(tert-butyldimethylsilyloxy)-2-ethyl-5-(tert-butyldiphenylsilyloxy)hexane 
• 498572-79-5 5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol 
• 1027426-93-2 1-(tert-butyldimethylsilyloxy)-2-ethyl-hexane-5-ol 
• 58374-34-8 2-ethyl-hexane-1,5-diol 
• 85-44-9 phthalic anhydride 
• 270594-13-3 2-ethylhex-5-en-1-ol 
• 854538-92-4 mono(2-ethyl-5-hexenyl) 1,2-benzenedicarboxylate 
• 40321-98-0 mono(2-ethyl-5-oxohexyl) 1,2-benzenedicarboxylate 
• 498572-81-9 mono-(2-ethyl-5-(tert-butyldiphenylsilyloxy)hexyl)phthalate 

Downstream Products

• 40321-98-0 mono(2-ethyl-5-oxohexyl) 1,2-benzenedicarboxylate 

Relevant articles and documents

Synthesis of DEHP metabolites as biomarkers for GC-MS evaluation of phthalates as endocrine disrupters

Phthalates are used primarily as plasticizers to make polyvinyl chloride (PVC) soft and flexible. In recent years the phthalate esters have attracted increasing attention as environmental and biomedical pollutants and, because of their toxicological characteristics. In particular, they are more and more recognized as endocrine disrupters. In this context, we describe herein an efficient synthetic pathway leading to a series of metabolites of di(2-ethylhexyl) phthalate (DEHP). Mono(2-ethylhexenyl) phthalate was used as starting material to obtain these products in good yield, large scale and GC-MS purity. The metabolites of DEHP were synthesized, for the first time, as biomarkers to verify their quantitative determination in human urine and serum by GC-MS analysis for studying the exposure to phthalates and establishing reference values.