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Name	p-tert-Butylphenyl diphenylphosphate	EINECS	N/A
CAS No.	981-40-8	Density	N/A
PSA	73.03000	LogP	6.49220
Solubility	N/A	Melting Point	N/A
Formula	C22H23 O4 P	Boiling Point	261oC at 6 mm Hg
Molecular Weight	382.396	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	A poison by intravenous route. Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of PO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Phosphoricacid, p-tert-butylphenyl diphenyl ester (6CI,7CI,8CI); Phenol, p-tert-butyl-,diphenyl phosphate (8CI); Diphenyl 4-tert-butylphenyl phosphate; Diphenylp-tert-butylphenyl phosphate; GZhFK; NSC 2885; p-t-Butylphenyl diphenylphosphate; p-tert-Butylphenyl diphenyl phosphate	Article Data	5

p-tert-Butylphenyl diphenylphosphate Chemical Properties

Molecule structure of p-tert-Butylphenyl diphenylphosphate (CAS NO.981-40-8):

IUPAC Name: (4-tert-Butylphenyl) diphenyl phosphate
Molecular Weight: 382.389381 g/mol
Molecular Formula: C₂₂H₂₃O₄P
Density: 1.178 g/cm³
Boiling Point: 433.1 °C at 760 mmHg
Flash Point: 229.1 °C
Index of Refraction: 1.567
Molar Refractivity: 106.05 cm³
Molar Volume: 324.5 cm³
Polarizability: 42.04×10^-24 cm³
Surface Tension: 42.4 dyne/cm
Enthalpy of Vaporization: 66.24 kJ/mol
Vapour Pressure: 2.66E-07 mmHg at 25 °C
XLogP3: 6.3
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Exact Mass: 382.133396
MonoIsotopic Mass: 382.133396
Topological Polar Surface Area: 44.8
Heavy Atom Count: 27
Complexity: 457
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI: InChI=1S/C22H23O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKey: ULGAVXUJJBOWOD-UHFFFAOYSA-N

p-tert-Butylphenyl diphenylphosphate Toxicity Data With Reference

1.	orl-rat LD50:>15,800 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 41 (1977),291.
2.	ivn-mus LDLo:100 mg/kg	CBCCT* “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 5 (1953),140.
3.	skn-rbt LD50:>7900 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 41 (1977),291.
4.	orl-ckn LD50:>10 g/kg	TXAPA9 Toxicology and Applied Pharmacology. 41 (1977),291.

p-tert-Butylphenyl diphenylphosphate Safety Profile

A poison by intravenous route. Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of PO_x.

p-tert-Butylphenyl diphenylphosphate Specification

p-tert-Butylphenyl diphenylphosphate (CAS NO.981-40-8) is also named as 4-06-00-03309 (Beilstein Handbook Reference) ; AI3-18184 ; BRN 3436583 ; Diphenyl p-tert-butylphenyl phosphate ; NSC 2885 ; p-tert-Butylphenyl diphenyl phosphate ; Phosphoric acid, (p-tert-butylphenyl) diphenyl ester ; Phosphoric acid, 4-(1,1-dimethylethyl)phenyl diphenyl ester . p-tert-Butylphenyl diphenylphosphate (CAS NO.981-40-8) is highly toxic. It will produce toxic phosphorus oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.

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