磷酸三甲苯酯

Description

Tricresyl phosphate · CAS 78-32-0 · C21H21O4P. UNII 5149JKD098. Boiling Point: 435 °F at 3.5 mmHg (NTP, 1992); Boiling Point: BP: 224 °C at 35 mm Hg; Melting Point: 171 to 172 °F (NTP, 1992).

Identification

CAS Registry Number	78-32-0
PubChem CID	6529
Molecular formula	C21H21O4P
IUPAC name	tris(4-methylphenyl) phosphate
UNII (FDA)	5149JKD098

Computed Descriptors

Molecular Weight	368.4
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	368.11774614
Monoisotopic Mass	368.11774614
Topological Polar Surface Area	44.8
Heavy Atom Count	26
Formal Charge	0

Physical & Chemical Properties

Boiling Point	435 °F at 3.5 mmHg (NTP, 1992)
Boiling Point	BP: 224 °C at 35 mm Hg
Melting Point	171 to 172 °F (NTP, 1992)
Melting Point	77.5 °C
Density	1.247 g/cu cm at 25 °C
Vapor Pressure	0.00000003 [mmHg]
LogP	5.11
Collision Cross Section	200.02 Ų [M+Na]+
Collision Cross Section	190.02 Ų [M+H]+
Collision Cross Section	273.74 Ų [2M+Na]+

Physical description & handling notes

• Tri-p-tolyl phosphate is a crystalline solid. (NTP, 1992)
• Solid; [HSDB] White to light brown powder; [MSDSonline]
• Needles from alcohol; tablets from ethanol
• MP: SUPERCOOLS; ACIDITY: 0.02 CALCULATED AS % PHOSPHORIC ACID; VISC: 60 CENTISTOKE @ 25 °C & 4.0 CENTISTOKE @ 100 °C /ISOMERIC MIXT/
• 410 °F (CLOSED CUP)
• Insoluble (NTP, 1992)

GHS Hazard Classification

Reported hazard statements	H302, H312, H411, H400 (71.9%), H410 (33.8%), H373

Documented Uses

• Used as flame retardant; [HSDB] Used in isomeric mixture known as Tricresyl phosphate (CAS # 1330-78-5);
• Plasticizer in vinyl plastics manufacture, flame-retardant, solvent for nitrocellulose, in cellulosic molding compositions, as additive to extreme pressure lubricants, non-flammable fluid in hydraulic systems, as lead scavenger in gasoline, to sterilize certain surgical instruments /Isomeric mixture/
• Aryl phosphates such as tricresyl phosphate ... when added in small percentages to the gasoline, combat misfires. /Aryl phosphates/
• The commercial tricresyl phosphate product is essentially a meta, para-isomer mixture. Tricresyl phosphate is used in flexible PVC, cellulose nitrate, ethylcellulose coatings, and various rubbers. Typical applications are vinyl tarpaulins, mine conveyer belts, air ducts, cable insulation, and vinyl films ... usually used in blends with phthalates.
• Prepared from cresol and phosphorus oxychloride, phosphoric acid, or phosphorus pentachloride. The grades of cresol commonly used are the isomeric (o-, m-, p-), and meta-para mixtures from coal tar and cresylic acid from petroleum. Purification of the product is based on the intended use; the commercial product is generally obtained as a mixture. A "refined grade" of tricresyl phosphate is prepared by vacuum distillation, or alternatively by washing with 2% sodium hydroxide and water ... . /Tricresyl phosphate/
• 55% AS A FLAME RETARDANT IN FUNCTIONAL FLUIDS AND LUBRICANTS; 30% AS A FLAME RETARDANT PLASTICIZER FOR POLYVINYL CHLORIDE, CELLULOSE ESTERS, AND NITRILE RUBBER COMPOUNDS; 5% AS AN AIR FILTER ADHESIVE MEDIUM; 10% IN MISC APPLICATIONS (1974)

Synonyms

78-32-0; Tri-p-tolyl phosphate; TRI-P-CRESYL PHOSPHATE; Tris(4-methylphenyl) phosphate; Phosphoric acid, tris(4-methylphenyl) ester; Phosphoric acid, tri(4-tolyl)ester; HSDB 2559; NSC 2181; EINECS 201-105-6; 5149JKD098; UNII-5149JKD098; AI3-04490; NSC-2181; p-Tolyl phosphate ((C7H7O)3PO); DTXSID5052676; TRI-P-CRESYL PHOSPHATE [HSDB]

Frequently Asked Questions

What are the CAS number and molecular formula of Tricresyl phosphate?

CAS 78-32-0; molecular formula C21H21O4P; molecular weight — g/mol.

What other names is Tricresyl phosphate known by?

78-32-0, Tri-p-tolyl phosphate, TRI-P-CRESYL PHOSPHATE, Tris(4-methylphenyl) phosphate, Phosphoric acid, tris(4-methylphenyl) ester, Phosphoric acid, tri(4-tolyl)ester.

Is Tricresyl phosphate classified as hazardous?

Hazard statements reported: H302, H312, H411, H400, H410.

What are the key physical properties of Tricresyl phosphate?

Boiling Point: 435 °F at 3.5 mmHg (NTP, 1992); Boiling Point: BP: 224 °C at 35 mm Hg; Melting Point: 171 to 172 °F (NTP, 1992); Melting Point: 77.5 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.