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