Phosphoric acid,trihexyl ester supplier

Name
TRIHEXYL PHOSPHATE
EINECS 219-774-8
CAS No. 2528-39-4
Article Data10
CAS DataBase
Density 0.95 g/cm³
Solubility 250μg/L at 20℃
Melting Point
Formula C₁₈H₃₉O₄P
Boiling Point 354.1 °C at 760 mmHg
Molecular Weight 350.479
Flash Point 181.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hexylphosphate ((C6H13O)3PO) (6CI,7CI);Tri(n-hexyl) phosphate;Tri-N-hexylphosphate;Trihexyl phosphate;
PSA 54.57000
LogP 6.88520

Phosphoric acid,trihexyl ester Specification

The CAS registry number of Phosphoric acid,trihexyl ester is 2528-39-4. This chemical's molecular formula is C₁₈H₃₉O₄P and molecular weight is 350.47. What's more, both its IUPAC name and systematic name are the same which is called Trihexyl phosphate.

Physical properties about Phosphoric acid,trihexyl ester are: (1)ACD/LogP: 7.45; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.45; (4)ACD/LogD (pH 7.4): 7.45; (5)ACD/BCF (pH 5.5): 271778.19; (6)ACD/BCF (pH 7.4): 271778.19; (7)ACD/KOC (pH 5.5): 270013.53; (8)ACD/KOC (pH 7.4): 270013.53; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 54.57 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 97.54 cm³; (15)Molar Volume: 368.8 cm³; (16)Polarizability: 38.67×10^-24cm³; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 181.6 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 354.1 °C at 760 mmHg; (22)Vapour Pressure: 6.99E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCCCCCC)(OCCCCCC)OCCCCCC
(2) InChI: InChI=1/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
(3) InChIKey: SFENPMLASUEABX-UHFFFAOYAH

Product Name

TRIHEXYL PHOSPHATE

Phosphoric acid,trihexyl ester Specification

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