磷酸三间甲苯酯

Description

tri-m-tolyl phosphate · CAS 563-04-2 · C21H21O4P. UNII W09Q34ON6J. Boiling Point: 500 °F at 15 mmHg (NTP, 1992); Boiling Point: 260 °C at 15 mm Hg; Melting Point: 77 to 79 °F (NTP, 1992).

Identification

CAS Registry Number	563-04-2
PubChem CID	11232
Molecular formula	C21H21O4P
IUPAC name	tris(3-methylphenyl) phosphate
UNII (FDA)	W09Q34ON6J

Computed Descriptors

Molecular Weight	368.4
XLogP3	6.1
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	500 °F at 15 mmHg (NTP, 1992)
Boiling Point	260 °C at 15 mm Hg
Melting Point	77 to 79 °F (NTP, 1992)
Melting Point	25.5 °C
Flash Point	410 °F (NTP, 1992)
Density	1.150 at 25 °C
Vapor Pressure	0.00000011 [mmHg]
Collision Cross Section	198.56 Ų [M+Na]+
Collision Cross Section	188.56 Ų [M+H]+
Collision Cross Section	272.51 Ų [2M+Na]+

Physical description & handling notes

• Wax. When mixed with its isomers (ortho and meta ), the result is a colorless, odorless liquid. (NTP, 1992)
• Wax; mp = 25.5 deg C; [HSDB] Slightly yellow to pink clear liquid; [MSDSonline]
• Wax
• Insoluble (NTP, 1992)
• Insoluble in water; slightly soluble in ethanol; soluble in ethyl ether; very soluble in carbon tetrachloride
• 1.15 (NTP, 1992) - Denser than water; will sink

Regulatory Status

GHS notification summary	1.3% (1 / 78)

GHS Hazard Classification

GHS notification summary	1.3% (1 / 78)
Reported hazard statements	H302, H312 (50%), H400 (47.4%), H411 (97.4%), H373

Documented Uses

• Used in a isomeric mixture known as Tricresyl phosphate (CAS # 1330-78-5); No uses for the isolated isomer; [HSDB]
• Plasticizer in vinyl plastics mfr; 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/
• Air filter medium; solvent mixtures; waterproofing; heat exchange medium. /Isomeric mixt/
• Aryl phosphates such as tricresyl phosphate ... when added in small percentages to the gasoline, combat misfires. /Aryl phosphates/
• A typical phosphate, tricresyl phosphate, is made by heating phosphorus oxychloride with cresol ... . /Tricresyl phosphate/
• 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/

Synonyms

Tri-m-tolyl phosphate; TRI-M-CRESYL PHOSPHATE; tri-m-Tolylphosphate; Phosphoric acid, tris(3-methylphenyl) ester; Tris(3-methylphenyl) phosphate; Tris-m-cresyl phosphate; Tris(m-tolyl) phosphate; Tri-m-cresyl phosphite; Phosphoric acid tri-m-tolyl ester; NSC 4055; Phosphoric acid, tri-m-tolyl ester; EINECS 209-241-8; CCRIS 5948; DTXSID4026216; HSDB 4085; Phosphoric acid, tri(3-tolyl)ester

Frequently Asked Questions

What are the CAS number and molecular formula of tri-m-tolyl phosphate?

CAS 563-04-2; molecular formula C21H21O4P; molecular weight — g/mol.

What other names is tri-m-tolyl phosphate known by?

Tri-m-tolyl phosphate, TRI-M-CRESYL PHOSPHATE, tri-m-Tolylphosphate, Phosphoric acid, tris(3-methylphenyl) ester, Tris(3-methylphenyl) phosphate, Tris-m-cresyl phosphate.

Is tri-m-tolyl phosphate classified as hazardous?

1.3% of GHS notifications report no hazard classification (1 of 78).

What are the key physical properties of tri-m-tolyl phosphate?

Boiling Point: 500 °F at 15 mmHg (NTP, 1992); Boiling Point: 260 °C at 15 mm Hg; Melting Point: 77 to 79 °F (NTP, 1992); Melting Point: 25.5 °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.