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Di-n-octyl phosphate

Di-n-octyl phosphate structure

CAS No:
3115-39-7
Formula:
C16H35O4P
Chemical Name:
Di-n-octyl phosphate
Synonyms:
Phosphoric acid,dioctyl ester;Octyl phosphate ((C8H17O)2(HO)PO);Dioctyl orthophosphate;Dioctyl hydrogen phosphate;Dioctyl phosphate;Di-n-octyl phosphate;Phosphoric acid bis(octyl) ester;NSC 70167
Categories:
Organic Chemistry > Phosphines

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Description

Liquid

Di-n-octyl phosphate Basic Attributes

Molecular Weight：

322.420461

Exact Mass：

322.42

EC Number：

221-485-7

NSC Number：

70167

DSSTox ID：

DTXSID9058606

HScode：

2919900090

Characteristics

PSA：

65.57000

XLogP3：

5.84100

Appearance：

Liquid

Density：

0.9779 g/cm³ @ Temp: 20 °C

Melting Point：

29-30 °C

Boiling Point：

402ºC at 760mmHg

Flash Point：

196.9ºC

Safety Information

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 27 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

dioctyl phosphate

Di-n-octyl phosphate Use and Manufacturing

Uses

Lubricants and lubricant additives

Production

25,000 - 100,000 lb

Manufacturing Info：

Petroleum lubricating oil and grease manufacturing|Phosphoric acid, dioctyl ester: ACTIVE|Phosphoric acid, di-C8-14-alkyl esters: ACTIVE

Computed Properties

Molecular Weight:322.42
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:16
Exact Mass:322.22729659
Monoisotopic Mass:322.22729659
Topological Polar Surface Area:55.8
Heavy Atom Count:21
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes