Bis(2-ethylhexyl) phthalate

Bis(2-ethylhexyl) phthalate
Compound Structure:
Synonyms: ester;benzene-1,2-dicarboxylic acid bis(2-ethylhexyl) ester;BRD-A89471977-001-05-2;Diethylhexylphthalate (Bis-(2-ethylhexyl) Phthalate);Bis(2-ethylhexyl) phthalate 100
Compound ID: NMPC-679
PubChem ID:

8343

Molecular Formula: C24H38O4
Canonical SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChIKey: BJQHLKABXJIVAM-UHFFFAOYSA-N
About the compound:

Di(2-ethylhexyl) phthalate, commonly abbreviated as DEHP, is a synthetically produced chemical extensively used as a plasticizer – a substance added to plastics to increase their flexibility, transparency, durability, and longevity. DEHP is a colorless liquid that is virtually odorless.In practical applications, DEHP is found in a wide array of plastic  products. These include items such as wall coverings, tablecloths, floor tiles, furniture upholstery, shower curtains, garden hoses, swimming pool liners, rainwear, baby pants, dolls, some toys, shoes, car upholstery and convertible tops, as well as in packaging materials like film and sheets. It is also used in the insulation sheathing for wire and cable, medical tubing, and blood storage bags. Chemically, DEHP is known as bis(2-ethylhexyl) phthalate. It is a phthalate ester, specifically the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. In addition to its use as a plasticizer, DEHP has roles as an apoptosis inhibitor and an androstane receptor agonist. It is a diester belonging to the class of phthalates, which are widely utilized as plasticizers in the manufacturing of plastics. DEHP, with the chemical formula C6H4(CO2C8H17)2, is the most common member of the phthalate class. It is produced by the esterification of phthalic acid with branched-chain 2-ethylhexanol. This colorless and viscous liquid is soluble in oil but insoluble in water. Due to its widespread use in plastic production, DEHP is a significant chemical in the plastics industry, particularly in applications requiring increased plastic flexibility.

GHS Hazard Statements

H360FD: May damage fertility; May damage the unborn child [Danger Reproductive toxicity]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

390.6 g/mol

XLogP3

7.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

16

Exact Mass

390.27700969 g/mol

Monoisotopic Mass

390.27700969 g/mol

Topological Polar Surface Area

52.6²

Heavy Atom Count

28

Formal Charge

0

Complexity

394

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Physical Description

Di(2-ethylhexyl) phthalate is a colorless to pale yellow oily liquid. Nearly odorless. (USCG, 1999)

Boiling Point

723 °F at 760 mmHg (NTP, 1992)

Melting Point

-58 °F (NTP, 1992)

Solubility 

Soluble in blood and fluids containing lipoproteins, MISCIBLE WITH MINERAL OIL & hexan

Vapor Pressure

1.32 mmHg at 392 °F (NTP, 1992)

Source: PubChem

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Citrullus lanatus,
Urena lobata
Grewia mollis
Schrebera arborea
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