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Isodecyl diphenyl phosphate

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Name

Isodecyl diphenyl phosphate

EINECS 249-828-6
CAS No. 29761-21-5 Density 1.08 g/cm3
PSA 54.57000 LogP 7.26570
Solubility Insoluble in water Melting Point <-50oC
Formula C22H31O4P Boiling Point 448.4 °C at 760 mmHg
Molecular Weight 390.50 Flash Point 238.3 °C
Transport Information UN 3082 Appearance Viscous clear colorless liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 29761-21-5 (Isodecyl diphenyl phosphate) Hazard Symbols N/A
Synonyms

Isodecylalcohol, diphenyl phosphate (8CI);Diacizer D 148;Diphenyl isodecyl phosphate;Phosphoric acid,isodecyl diphenyl ester;Phosflex 390;Santicizer 2148;Santicizer C 148;

 

Isodecyl diphenyl phosphate Consensus Reports

Reported in EPA TSCA Inventory.

Isodecyl diphenyl phosphate Specification

The Isodecyl diphenyl phosphate, with the CAS registry number 29761-21-5,is also known as Diphenyl isodecyl phosphate. It belongs to the product categories of Organics. Its EINECS number is 249-828-6. This chemical's molecular formula is C22H31O4P and molecular weight is 390.45. What's more,Its systematic name is Isodecyl diphenyl phosphate. It is a Viscous clear colorless liquid which is insoluble in water and probably combustible.

Physical properties about Isodecyl diphenyl phosphate are:
(1)ACD/LogP:  7.24; (2)# of Rule of 5 Violations:  1  ; (3)ACD/LogD (pH 5.5):  7.24; (4)ACD/LogD (pH 7.4):  7.24; (5)ACD/BCF (pH 5.5):  187276.50; (6)ACD/BCF (pH 7.4):  187276.50; (7)ACD/KOC (pH 5.5):  206833.00; (8)ACD/KOC (pH 7.4):  206833.00; (9)#H bond acceptors:  4; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  13; (12)Index of Refraction:  1.518; (13)Molar Refractivity:  109.454 cm3; (14)Molar Volume:  361.276 cm3; (15)Surface Tension:  39.0589981079102 dyne/cm; (16)Density:  1.081 g/cm3; (17)Flash Point:  238.268 °C; (18)Enthalpy of Vaporization:  67.967 kJ/mol; (19)Boiling Point:  448.352 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=P(OCCCCCCCC(C)C)(Oc1ccccc1)Oc2ccccc2;
(2)Std. InChI:InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3;
(3)Std. InChIKey:RYUJRXVZSJCHDZ-UHFFFAOYSA-N.

The toxicity data of Isodecyl diphenyl phosphate are as follows:

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.
rabbit LD50 skin > 7900mg/kg (7900mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.
rat LD50 oral > 15800mg/kg (15800mg/kg)   Toxicology and Applied Pharmacology. Vol. 41, Pg. 291, 1977.

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