CAS No.68937-41-7,Isopropylphenyl phosphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	68937-41-7
Name:	Isopropylphenyl phosphate

Formula:	C₂₇H₃₃O₄P
Molecular Weight:	452.52
Synonyms:	Isopropylated phenol phosphate;Phenol, isopropylated,phosphate (3:1);Triisopropylated phenyl phosphate;IPPP;Isopropylphenyl phosphate(IPPP);
EINECS:	273-066-3
Density:	1.108 g/cm³
Melting Point:	-12 to -26oC
Boiling Point:	489.7 °C at 760 mmHg
Flash Point:	263.1 °C
Solubility:	0.7-2.0
Appearance:	Colorless or light yellow transparent liquid
Transport Information:	UN 3077
PSA:	65.57000
LogP:	2.59080

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Triaryl Phosphate Isopropylated (IPPP), with the CAS registry number 68937-41-7 and EINECS registry number 273-066-3, has the systematic name of tris[4-(propan-2-yl)phenyl] phosphate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₂₇H₃₃O₄P.

The physical properties of Triaryl Phosphate Isopropylated (IPPP) are as followings: (1)ACD/LogP: 8.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.11; (4)ACD/LogD (pH 7.4): 8.11; (5)ACD/BCF (pH 5.5): 863409.5; (6)ACD/BCF (pH 7.4): 863409.5; (7)ACD/KOC (pH 5.5): 617608.56; (8)ACD/KOC (pH 7.4): 617608.56; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 130.22 cm³; (15)Molar Volume: 408 cm³; (16)Polarizability: 51.62×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 263.1 °C; (20)Enthalpy of Vaporization: 72.73 kJ/mol; (21)Boiling Point: 489.7 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(Oc1ccc(cc1)C(C)C)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C
(2)InChI: InChI=1/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3
(3)InChIKey: ANVREEJNGJMLOV-UHFFFAOYAH

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD	oral	> 36mL/kg (36mL/kg)		National Technical Information Service. Vol. OTS0538656,
chicken	LD	oral	> 36mL/kg (36mL/kg)		National Technical Information Service. Vol. OTS0538656,
rabbit	LDLo	oral	3200uL/kg (3.2mL/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES LIVER: OTHER CHANGES	National Technical Information Service. Vol. OTS0538656,
rabbit	LDLo	skin	2500uL/kg (2.5mL/kg)	BEHAVIORAL: TREMOR LIVER: OTHER CHANGES BEHAVIORAL: IRRITABILITY	National Technical Information Service. Vol. OTS0538656,
rat	LC	inhalation	> 6350mg/m³/4H (6350mg/m³)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 209, 1992.
rat	LD	intraperitoneal	> 5gm/kg (5000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 209, 1992.
rat	LD	oral	> 5gm/kg (5000mg/kg)		Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 209, 1992.