1241-94-7

Basic information

• Product Name: 2-Ethylhexyl diphenyl phosphate
• Synonyms: 2-ETHYLHEXYL DIPHENYL PHOSPHATE;Diphenyl-2-ethylhexyl phosphate;OCTYL DIPHENYL PHOSPHATE;PHOSPHORIC ACID OCTYL DIPHENYL ESTER;PHOSPHORIC ACID DIPHENYL 2-ETHYLHEXYL ESTER;PHOSPHORIC ACID 2-ETHYLHEXYL DIPHENYL ESTER;(2-Ethylhexyl)-difenylfosfat;1-Hexanol, 2-ethyl-, ester with diphenyl phosphate
• CAS NO: 1241-94-7
• Molecular Formula: C₂₀H₂₇O₄P
• Molecular Weight: 362.4
• EINECS: 214-987-2
• Product Categories: Functional Materials;Phosphates (Plasticizer);Plasticizer;Alphabetic;E;EQ - EZ
• Mol File: 1241-94-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: -54°C
• Boiling Point: 375°C
• Flash Point: 224 °C
• Appearance: Pale yellow liquid
• Density: 1,09 g/cm3
• Vapor Pressure: 6.49E-07mmHg at 25°C
• Refractive Index: 1.5080 to 1.5110
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility: Insoluble
• CAS DataBase Reference: 2-Ethylhexyl diphenyl phosphate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Ethylhexyl diphenyl phosphate(1241-94-7)
• EPA Substance Registry System: 2-Ethylhexyl diphenyl phosphate(1241-94-7)

Safety Data

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61
• RIDADR: UN 3082
• WGK Germany: 2
• RTECS: TC6125000
• HazardClass: 9
• PackingGroup: III
• Hazardous Substances Data: 1241-94-7(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 1241-94-7 differently. You can refer to the following data:
1. Pharmaceuticaid (plasticizer).
2. 2-Ethylhexyl Diphenyl Phosphate can be used as a flame retardant, an additive or a plasticizer for resins. It is considered as an emerging contaminant.

General Description

Pale yellow liquid. Insoluble in water.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

Organophosphates, such as 2-Ethylhexyl diphenyl phosphate, are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides

Health Hazard

ACUTE/CHRONIC HAZARDS: Toxic. Hazardous decomposition products. Experimental carcinogen.

Fire Hazard

Probably combustible.

Safety Profile

Poison by intravenous route. Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic fumes of POx,.

InChI:InChI=1/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3

Synthetic route

aqueous sodium phenolate solution + (+-)-dichlorophosphoric acid-<2-ethyl-hexyl ester> → santicizer 141 (1241-94-7)

2-Ethylhexyl alcohol (104-76-7) + phosphoric acid triphenyl ester (115-86-6) + O-phenyl phosphorodichloridate (770-12-7) + chlorophosphoric acid diphenyl ester (2524-64-3) → diphenyl hydrogen phosphate (838-85-7) + 3-(chloromethyl)heptane (123-04-6) + di(2-ethylhexyl) phenyl phosphate (16368-97-1) + santicizer 141 (1241-94-7)

Conditions	Yield
magnesium chloride at 120℃; under 50 - 150 Torr; for 5.5 - 7h; Product distribution / selectivity;

(N,N'-ethylenebis(3,5-di-tert-butylsalicylideneimine))AlBr + santicizer 141 (1241-94-7) → C32H46N2O2(2-)*Al(3+)*C12H10O4P(1-)

Conditions	Yield
In chloroform at 20℃; for 24h;	61%

Upstream product

• 104-76-7 2-Ethylhexyl alcohol 
• 115-86-6 phosphoric acid triphenyl ester 
• 770-12-7 O-phenyl phosphorodichloridate 
• 2524-64-3 chlorophosphoric acid diphenyl ester 

Relevant articles and documents

Process to prepare alkyl phenyl phosphates

The present invention relates to a process to prepare dialkyl monophenyl phosphate, monoalkyl diphenyl phosphate or mixtures thereof wherein dichloromonophenyl phosphate and/or monochlorodiphenyl phosphate is reacted with an aliphatic alcohol in the presence of a Lewis acid catalyst and in the absence of solvent at a temperature of 40 to 200°C and a pressure of 0 to 1 bar. The present invention further relates to mixtures of monoalkyl diphenyl phosphates and dialkyl monophenyl phosphates obtainable from the above process and the use of such mixtures as a plasticiser and/or a flame retardant.