CAS No.35415-27-1,trinonyl benzene-1,2,4-tricarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35415-27-1
Name:	trinonyl benzene-1,2,4-tricarboxylate

Formula:	C₃₆H₆₀O₆
Molecular Weight:	588.869
Synonyms:	1,2,4-Benzenetricarboxylicacid, trinonyl ester (9CI);Trimellitic acid, trinonyl ester (6CI);Tri-n-nonyltrimellitate;Trinonyl benzene-1,2,4-tricarboxylate;
EINECS:	252-552-9
Density:	0.982g/cm³
Boiling Point:	626.9 °C at 760 mmHg
Flash Point:	252.5 °C
Solubility:	100μg/L at 20℃
PSA:	78.90000
LogP:	10.40880

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Specification

The Trinonyl benzene-1,2,4-tricarboxylate with the CAS number 35415-27-1 is also called 1,2,4-Benzenetricarboxylicacid, 1,2,4-trinonyl ester. Its molecular formula is C₃₆H₆₀O₆. The EINECS registry number is 252-552-9. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Trinonyl benzene-1,2,4-tricarboxylate are: (1)ACD/LogP: 14.94; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.94; (4)ACD/LogD (pH 7.4): 14.94; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 30; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 172.76 cm³; (15)Molar Volume: 599.2 cm³; (16)Polarizability: 68.48×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Enthalpy of Vaporization: 92.79 kJ/mol; (19)Vapour Pressure: 1.25×10^-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCC)c1cc(ccc1C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC
(2)InChI: InChI=1/C36H60O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3
(3)InChIKey: ROPPTGKKZZDFJN-UHFFFAOYAZ