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| CAS No.: | 4281-67-8 |
|---|---|
| Name: | cyclohexyl diphenyl phosphate |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C18H21O4P |
| Molecular Weight: | 332.336 |
| Density: | 1.21g/cm3 |
| Boiling Point: | 409.4°Cat760mmHg |
| Flash Point: | 214.9°C |
| Hazard Symbols: | Moderately toxic by ingestion. A mild eye irritant. |
| Safety: | Moderately toxic by ingestion. A mild eye irritant. When heated to decomposition it emits toxic vapors of POx. |
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Chemistry
Molecule structure of Cyclohexyl phenyl phosphate (6CI) (CAS NO.4281-67-8):
IUPAC Name: Cyclohexyl diphenyl phosphate
Molecular Weight: 332.330701 g/mol
Molecular Formula: C18H21O4P
Density: 1.21 g/cm3
Boiling Point: 409.4 °C at 760 mmHg
Flash Point: 214.9 °C
Index of Refraction: 1.562
Molar Refractivity: 89.14 cm3
Molar Volume: 274.5 cm3
Polarizability: 35.34×10-24 cm3
Surface Tension: 46.9 dyne/cm
Enthalpy of Vaporization: 63.59 kJ/mol
Vapour Pressure: 1.54E-06 mmHg at 25 °C
XLogP3-AA: 5
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 332.117746
MonoIsotopic Mass: 332.117746
Topological Polar Surface Area: 44.8
Heavy Atom Count: 23
Complexity: 359
Canonical SMILES: C1CCC(CC1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI: InChI=1S/C18H21O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey: CPKKNIYMTSBFIQ-UHFFFAOYSA-N
Classification Code of Cyclohexyl phenyl phosphate (6CI) (CAS NO.4281-67-8): Skin / Eye Irritant
Toxicity Data With Reference
| 1. | eye-rbt 10 mg/24H MLD | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545598 . | ||
| 2. | orl-rat LD50:2460 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545598 . | ||
| 3. | orl-rbt LDLo:10 g/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0545598 . |
Safety Profile
Moderately toxic by ingestion. A mild eye irritant. When heated to decomposition it emits toxic vapors of POx.
Specification
Cyclohexyl phenyl phosphate (6CI) (CAS NO.4281-67-8) is also named as Cyclohexyl diphenyl phosphate ; Cyclohexyl phenyl phosphate ((C6H11O)(PhO)2PO) (7CI) ; Phosphoric acid, cyclohexyl diphenyl ester .