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

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

Uses

Used in Plastic Industry:
MEHHP is used as a plasticizer for [application reason] to increase the flexibility, workability, and durability of various plastic materials. It is commonly added to polyvinyl chloride (PVC) products, such as toys, blood bags, and medical tubing, to enhance their properties.
Used in Medical Applications:
MEHHP is used as a component in the production of certain medical devices, such as blood bags and tubing, for [application reason] to provide flexibility and durability while maintaining the integrity of the materials.
Used in Consumer Products:
MEHHP is used as an additive in the manufacturing of various consumer products, such as toys and other plastic items, for [application reason] to improve their physical properties and ensure a longer lifespan.

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

• 498572-81-9 mono-(2-ethyl-5-(tert-butyldiphenylsilyloxy)hexyl)phthalate 
• 40321-98-0 mono(2-ethyl-5-oxohexyl) 1,2-benzenedicarboxylate 
• 35650-55-6 2-ethyl-5-oxo-hexanal 
• 498572-78-4 1-(tert-butyldimethylsilyloxy)-2-ethyl-5-(tert-butyldiphenylsilyloxy)hexane 
• 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 
• 498572-79-5 5-(tert-butyldiphenylsilyloxy)-2-ethyl-hexane-1-ol 

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.

Monophthalates with oxidized C5-carbon in the ester chain: A simple synthetic access to two major metabolites of bis-(2-ethylhexyl)-phthalate

The synthesis of two oxidized metabolites of bis-(2-ethylhexyl)-phthalate is described. The target structures were obtained by esterification of the appropriate alcohol carrying a protected hydroxy group with phthalic anhydride, followed by deprotection and further oxidation.