TRI-P-TOLYL PHOSPHATE

Basic Information

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CAS Number

78-32-0

Molecular Formula

C21H21O4P

Molecular Weight

368.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

75.0 to 78.0 deg-C

Boiling Point

430°C

Density

1.2470

Flash Point

410 °C

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3

InChIKey

BOSMZFBHAYFUBJ-UHFFFAOYSA-N

LogP

6.256760000000005

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

392

Safety Information

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Hazard Statement

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

TPC
DSSTox_RID_76133
FT-0696540
Phosphoric acid, tris(4-methylphenyl) ester
NCGC00091176-02
NCGC00164427-01
Phosphoric Acid Tri-p-tolyl Ester
DSSTox_GSID_21391
EINECS 201-105-6
TRICRESYL PHOSPHATE
Q26840796
p-Tolyl phosphate ((C7H7O)3PO)
Tox21_201546
NS00008724
Phosphoric acid, tri(4-tolyl)ester
CS-0313141
DTXSID5052676
Tri-p-tolyl phosphate
4-methylphenyl di4-methylphenyl phosphate
tri-p-tolylphosphate
HSDB 2559
AI3-04490
CAS-1330-78-5
Tricresyl phosphate (Tritolyl phosphate)
DSSTox_CID_1391
Tris(4-methylphenyl) phosphate
P-TOLYL PHOSPHATE (C7H7O)3PO
Phosphoric acid, tri-p-tolyl ester
TRI-P-CRESYL PHOSPHATE
NCGC00256457-01
Tricresyl phosphate, mixture of isomers

MDL Number

MFCD00041908

FAQ

What are the physical and chemical properties of Tri-P-Tolyl Phosphate (CAS: 78-32-0)?

Tri-P-Tolyl Phosphate (CAS: 78-32-0) is a light yellow to colorless, viscous liquid at room temperature. Its molecular weight is approximately 298.4 g/mol. The compound has a moderate solubility in organic solvents like benzene and toluene but is poorly soluble in water. It is reactive towards weak acids and bases. It is non-flammable and has a low volatility.

How is Tri-P-Tolyl Phosphate (CAS: 78-32-0) typically synthesized?

Tri-P-Tolyl Phosphate is typically synthesized through the phosphorylation of toluene using phosphorus pentoxide under anhydrous conditions. The reaction involves the conversion of toluene to tolyl trichlorophosphate followed by treatment with a base to form the phosphate ester. Common solvents include toluene or benzene, and the process yields a high purity product with good selectivity.

What industries use Tri-P-Tolyl Phosphate (CAS: 78-32-0)?

Tri-P-Tolyl Phosphate (CAS: 78-32-0) is used in various industries, including pharmaceuticals, where it serves as a precursor in the synthesis of certain drugs. It is also utilized in the polymer industry as a flame retardant and plasticizer. Additionally, it finds applications in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Tri-P-Tolyl Phosphate (CAS: 78-32-0)?

When handling Tri-P-Tolyl Phosphate (CAS: 78-32-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and laboratory coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on spill and emergency procedures.