Reported in EPA TSCA Inventory.
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. |