CAS No.1241-94-7,2-Ethylhexyl diphenyl phosphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1241-94-7
Name:	2-Ethylhexyl diphenyl phosphate

Formula:	C₂₀H₂₇O₄P
Molecular Weight:	362.406
Synonyms:	Phosphoric acid,2-ethylhexyl diphenyl ester;Diphenyl 2-ethylhexyl phosphate;Disflamoll DPO;Octicizer;Phosflex 342;Phosflex 362;Santicizer 141;
EINECS:	214-987-2
Density:	1.103 g/cm³
Melting Point:	-54 °C
Boiling Point:	421.2 °C at 760 mmHg
Flash Point:	222 °C
Solubility:	insoluble in water
Appearance:	Pale yellow liquid
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	60-61
Transport Information:	UN 3082
PSA:	54.57000
LogP:	6.48550

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

Conditions	Yield
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

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

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Consensus Reports

Reported in EPA TSCA Inventory.

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。