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2-Ethylhexyl diphenyl phosphate
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Name

2-Ethylhexyl diphenyl phosphate

 EINECS 214-987-2
CAS No. 1241-94-7 Density 1.103 g/cm3
PSA 54.57000 LogP 6.48550
Solubility insoluble in water Melting Point -54 °C
Formula C20H27O4P Boiling Point 421.2 °C at 760 mmHg
Molecular Weight 362.406 Flash Point 222 °C
Transport Information UN 3082 Appearance Pale yellow liquid
Safety 60-61 Risk Codes 50/53
Molecular Structure Molecular Structure of 1241-94-7 (2-Ethylhexyl diphenyl phosphate) Hazard Symbols DangerousN
Synonyms

Phosphoric acid,2-ethylhexyl diphenyl ester;Diphenyl 2-ethylhexyl phosphate;Disflamoll DPO;Octicizer;Phosflex 342;Phosflex 362;Santicizer 141;

 

2-Ethylhexyl diphenyl phosphate Synthetic route

aqueous sodium phenolate solution

aqueous sodium phenolate solution

(+-)-dichlorophosphoric acid-<2-ethyl-hexyl ester>

(+-)-dichlorophosphoric acid-<2-ethyl-hexyl ester>

1241-94-7

santicizer 141

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

A

838-85-7

diphenyl hydrogen phosphate

B

123-04-6

3-(chloromethyl)heptane

C

16368-97-1

di(2-ethylhexyl) phenyl phosphate

D

1241-94-7

santicizer 141

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

(N,N'-ethylenebis(3,5-di-tert-butylsalicylideneimine))AlBr

1241-94-7

santicizer 141

C32H46N2O2(2-)*Al(3+)*C12H10O4P(1-)

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

2-Ethylhexyl diphenyl phosphate Consensus Reports

Reported in EPA TSCA Inventory.

2-Ethylhexyl diphenyl phosphate Specification

1. Introduction of 2-Ethylhexyl diphenyl phosphate
2-Ethylhexyl diphenyl phosphate, with the CAS registry number of 1241-94-7, is also named as Octicizer. The product's categories are Functional Materials; Phosphates (Plasticizer); Plasticizer; Alphabetic. Besides, 2-Ethylhexyl diphenyl phosphate is pale yellow liquid, which should be stored in a cool, ventilated warehouse at 2-8 °C. In addition, its molecular formula is C20H27O4P and molecular weight is 362.40.

2. Properties of 2-Ethylhexyl diphenyl phosphate
(1)EINECS: 214-987-2; (2)ACD/LogP: 6.64; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 6.63; (5)ACD/LogD (pH 7.4): 6.63; (6)ACD/BCF (pH 5.5): 64905.45; (7)ACD/BCF (pH 7.4): 64905.45; (8)ACD/KOC (pH 5.5): 96875.02; (9)ACD/KOC (pH 7.4): 96875.02; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 11; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 100.18 cm3; (15)Molar Volume: 328.2 cm3; (16)Surface Tension: 39.6 dyne/cm; (17)Density: 1.103 g/cm3; (18)Flash Point: 222 °C; (19)Melting Point: -54 °C; (20)Enthalpy of Vaporization: 64.9 kJ/mol; (21)Boiling Point: 421.2 °C at 760 mmHg; (22)Vapour Pressure: 6.49E-07 mmHg at 25 °C.

3. Structure Descriptors of 2-Ethylhexyl diphenyl phosphate
(1)SMILES: O=P(OCC(CC)CCCC)(Oc1ccccc1)Oc2ccccc2
(2)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
(3)InChIKey: CGSLYBDCEGBZCG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: CGSLYBDCEGBZCG-UHFFFAOYSA-N

4. Toxicity of 2-Ethylhexyl diphenyl phosphate

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 10gm/kg (10000mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.
mouse LD50 intraperitoneal 930mg/kg (930mg/kg) BEHAVIORAL: ANTICONVULSANT

BEHAVIORAL: TREMOR

BEHAVIORAL: MUSCLE WEAKNESS		 Office of Toxic Substances Report. Vol. OTS,
rabbit LD50 oral 218mg/kg (218mg/kg)   International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.
rabbit LD50 skin > 7900mg/kg (7900mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.
rabbit LDLo intravenous 272mg/kg (272mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 8, Pg. 170, 1953.
rat LDLo oral 7500mg/kg (7500mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. OTS0545845,


5. Preparation of 2-Ethylhexyl diphenyl phosphate
You can use 2-Ethylhexanol to react with Phosphorus oxychloride. And then esterify it by the use of Sodium phenolate. At last, you will obtain this 2-Ethylhexyl diphenyl phosphate by washing, thin film evaporation, decoloration and filter pressing.

6. Use of 2-Ethylhexyl diphenyl phosphate
2-Ethylhexyl diphenyl phosphate is used as additive-type flame retardant and flame retardant plasticizer. It is also used as adhesive for synthetic resins and synthetic rubber.

7. Other details of 2-Ethylhexyl diphenyl phosphate
When you are using this chemical, please be cautious about it as the following: it is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. And you should avoid release to the environment. Refer to special instructions / safety data sheets。

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