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Triisobutyl phosphate

Triisobutyl phosphate structure

CAS No:
126-71-6
Formula:
C12H27O4P
Chemical Name:
Triisobutyl phosphate
Synonyms:
Phosphoric acid,tris(2-methylpropyl) ester;Phosphoric acid,triisobutyl ester;Isobutyl phosphate ((C4H9O)3PO);Triisobutyl phosphate;Antifoam TIP;NSC 62222;Daiguard 400;Reomol TIBP;856824-62-9
Categories:
Organic Chemistry > Inorganic Acid Esters

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Description

Liquid

Triisobutyl phosphate Basic Attributes

Molecular Weight：

266.31400

Exact Mass：

266.31

EC Number：

204-798-3

UNII：

6MKE1AR3GB

NSC Number：

62222

DSSTox ID：

DTXSID8040698

HScode：

2919900090

Characteristics

PSA：

54.57000

XLogP3：

3.5

Appearance：

Liquid

Density：

0.9617 g/cm³ @ Temp: 25 °C

Boiling Point：

264 °C

Flash Point：

125.8ºC

Refractive Index：

1.42

Vapor Pressure：

0.0191mmHg at 25°C

Collision Cross Section：

165.44 Å² [M+H]+

Safety Information

wgk germany：

hazard class code：

R43

safety instructions：

S36/37

RTECS Number：

TC9300000

Marks：

Precautionary statement(s)：

P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H317 (91.98%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 540 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

tri-isobutylphosphate

Triisobutyl phosphate Use and Manufacturing

Uses

Phosphoric Acid Tris(2-methylpropyl) Ester is found in the groundwater downgradient of a landfill (Grindsted, Denmark). It is also a flame retardant and plasticizer.

Defoamer

Building/construction materials not covered elsewhere

Manufacturing Info：

Construction|Phosphoric acid, tris(2-methylpropyl) ester: ACTIVE

Computed Properties

Molecular Weight:266.31
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:266.16469634
Monoisotopic Mass:266.16469634
Topological Polar Surface Area:44.8
Heavy Atom Count:17
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutanol

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