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68937-41-7

Basic Information
CAS No.: 68937-41-7
Name: Isopropylphenyl phosphate
Molecular Structure:
Molecular Structure of 68937-41-7 (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
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: UN 3077
PSA: 65.57000
LogP: 2.59080
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  • 68937-41-7

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  • Isopropylphenyl phosphate

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  • Isopropylphenyl phosphate

  • Casno:

    68937-41-7

    Isopropylphenyl phosphate

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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.