mono(2-ethyl-5-oxohexyl)phthalate Chemical Properties

Boiling point:

478.7±30.0 °C(Predicted)

Density 

1.155±0.06 g/cm3(Predicted)

refractive index 

n20/D 1.516-1.518

storage temp. 

2-8°C

solubility 

Chloroform (Slightly), Hexanes (Slightly), Methanol (Slightly)

form 

Oil

pka

3.37±0.36(Predicted)

color 

Yellow to Brown

BRN 

920863

Major Application

cleaning products
cosmetics
environmental
food and beverages
personal care

InChI

1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)

InChIKey

HCWNFKHKKHNSSL-UHFFFAOYSA-N

SMILES

O=C(OCC(CC)CCC(C)=O)C1=CC=CC=C1C(O)=O

Safety Information

WGK Germany 

WGK 3

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2

mono(2-ethyl-5-oxohexyl)phthalate Usage And Synthesis

Chemical Properties

Brown Liquid

Uses

A phthalate metabolite. Prenatal phthalate exposure could have potential neurological effects in humans and animals.

Definition

ChEBI: A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol.

mono(2-ethyl-5-oxohexyl)phthalate(40321-98-0)Related Product Information

• mono(2-ethyl-5-oxohexyl)phthalate
• PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER