Trihexyl phosphate

Basic Information

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CAS Number

2528-39-4

Molecular Formula

C18H39O4P

Molecular Weight

350.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

354.1°Cat760mmHg

Density

0.95

Flash Point

181.6°C

Refractive Index

1.441

SMILES

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CCCCCCOP(=O)(OCCCCCC)OCCCCCC

InChI

InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3

InChIKey

SFENPMLASUEABX-UHFFFAOYSA-N

LogP

6.885200000000007

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

241

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

A935514
HN844S3C6X
Trihexyl phosphate
FT-0682672
J-015909
SCHEMBL235364
DTXSID1074597
SFENPMLASUEABX-UHFFFAOYSA-N
AS-56952
TRIHEXYLPHOSPHATE
CAA52839
?TRIHEXYL PHOSPHATE
Tri(n-hexyl) phosphate
EINECS 219-774-8
Phosphoric acid, trihexyl ester
AKOS005110998
2528-39-4
Trihexyl Phosphate (>90%)
MFCD00015351
tri-n-hexyl phosphate
NS00027853
CS-0333457
trihexyl phosphate
Tri-n-hexyl phosphate
HEXYL PHOSPHATE
Phosphoric acid,trihexyl ester
Phosphorsaeure-trihexylester
Trihexylphosphat
phosphoric acid trihexyl ester
C18H39O4P
ARONIS24109

MDL Number

MFCD00015351

Customs Code

2919900090

FAQ

What are the physical and chemical properties of Trihexyl phosphate (CAS: 2528-39-4)?

Trihexyl phosphate (CAS: 2528-39-4) is a colorless to light yellow liquid with a molecular weight of approximately 321.45 g/mol. It has a low volatility and is slightly soluble in water but miscible with most organic solvents. Chemically, it is relatively stable but can react with strong bases and oxidizing agents. It is commonly used as a plasticizer and flame retardant.

How is Trihexyl phosphate (CAS: 2528-39-4) typically synthesized?

Trihexyl phosphate (CAS: 2528-39-4) is typically synthesized by esterification of phosphate with hexanol in the presence of sulfuric acid as a catalyst. The reaction involves the conversion of hexanol to hexyl phosphate, which is then further esterified to form the trihexyl phosphate. The yield is around 85-95%, with high selectivity to the desired product.

What industries use Trihexyl phosphate (CAS: 2528-39-4)?

Trihexyl phosphate (CAS: 2528-39-4) is widely used in the pharmaceutical industry as a plasticizer and stabilizer, in the polymer industry as a plasticizer and flame retardant, in the semiconductor industry as an antistatic agent, and in the sensor industry as a component in some sensor formulations.

What precautions should be taken when handling Trihexyl phosphate (CAS: 2528-39-4)?

When handling Trihexyl phosphate (CAS: 2528-39-4), always use personal protective equipment (PPE) such as gloves, goggles, and protective clothing. Store it in a cool, well-ventilated area, away from strong oxidizers and acids. Use a fume hood for any handling operations to avoid inhalation of vapors. In case of spill, neutralize with an alkali and dispose of according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety information.