Diisohexyl phthalate

CAT: 0804-HY-135357-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-135357-01Size:50 mg

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Description

Diisohexyl phthalate is a class of dialkyl phthalate esters and a plasticizer. Diisohexyl phthalate can cause potential interference in PVC sample chromatographic analysis due to its retention time overlapping with other phthalaltes[1][2].

CAS Number

71850-09-4

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

Biochemical Assay Reagents

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/diisohexyl-phthalate.html

Purity

95.94

Solubility

DMSO : 200 mg/mL (ultrasonic)

Smiles

O=C(OCCCC(C)C)C1=CC=CC=C1C(OCCCC(C)C)=O

Molecular Formula

C20H30O4

Molecular Weight

334.45

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Medeiros AM, et al. Evaluation of skin sensitization response of dialkyl (C6-C13) phthalate esters. Contact Dermatitis. 1999 Nov;41 (5) :287-9.|[2]Ying-Sing Fung, et al. Liquid chromatographic determination of the plasticizer di (2-ethylhexyl) phthalate (DEHP) in PVC plastics. Fresenius' Journal of Analytical Chemistry. December 1994, Volume 350, Issue 12, pp 721-723.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Diisohexyl phthalate

Diisohexyl phthalate is a phthalate ester. Phthalate esters are esters of phthalic acid and are mainly used as plasticizers, primarily used to soften polyvinyl chloride. They are found in a number of products, including glues, building materials, personal care products, detergents and surfactants, packaging, children's toys, paints, pharmaceuticals, food products, and textiles. Phthalates are hazardous due to their ability to act as endocrine disruptors. They are being phased out of many products in the United States and European Union due to these health concerns. (L1903)

CAS Number	71850-09-4
PubChem CID	8970
IUPAC Name	bis(4-methylpentyl) benzene-1,2-dicarboxylate
Molecular Formula	C20H30O4
Molecular Weight	334.4
XLogP	6.3
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Heavy Atom Count	24
Formal Charge	0
Complexity	340

SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1C(=O)OCCCC(C)C

InChI

InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3

InChIKey

ALEROMXYYSQFLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71850-09-4

CID: 8970

Formula: C20H30O4

MW: 334.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	334.4
XLogP3	6.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	334.21440943
Monoisotopic Mass	334.21440943
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	340
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Diisohexyl phthalate

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