CAS No.36631-30-8,TRI-ISODECYL TRIMELLITATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	36631-30-8
Name:	TRI-ISODECYL TRIMELLITATE

Formula:	C₃₉H₆₆O₆
Molecular Weight:	630.9377
Synonyms:	1,2,4-Benzenetricarboxylicacid, triisodecyl ester (9CI);ADK Cizer C 10;Adekacizer C 10;Hatcol 2930;SansocizerTITM;Triisodecyl trimellitate;Trimex T 10;
EINECS:	253-138-0
Density:	0.97 g/cm³
Boiling Point:	649 °C at 760 mmHg
Flash Point:	258.1 °C
Solubility:	1.24mg/L at 20℃
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	78.90000
LogP:	11.14680

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Specification

The 1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester, with the CAS registry number 36631-30-8 and EINECS registry number 253-138-0, has the systematic name of tris(8-methylnonyl) benzene-1,2,4-tricarboxylate. And the molecular formula of the chemical is C₃₉H₆₆O₆.

The characteristics of 1,2,4-Benzenetricarboxylicacid, 1,2,4-triisodecyl ester are as followings: (1)ACD/LogP: 15.99; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.98; (4)ACD/LogD (pH 7.4): 15.98; (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: 1.485; (14)Molar Refractivity: 186.53 cm³; (15)Molar Volume: 649.9 cm³; (16)Polarizability: 73.94×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.97 g/cm³; (19)Flash Point: 258.1 °C; (20)Enthalpy of Vaporization: 95.68 kJ/mol; (21)Boiling Point: 649 °C at 760 mmHg; (22)Vapour Pressure: 9.91E-17 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCCCCCCCC(C)C)c1cc(ccc1C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C
(2)InChI: InChI=1/C39H66O6/c1-31(2)22-16-10-7-13-19-27-43-37(40)34-25-26-35(38(41)44-28-20-14-8-11-17-23-32(3)4)36(30-34)39(42)45-29-21-15-9-12-18-24-33(5)6/h25-26,30-33H,7-24,27-29H2,1-6H3
(3)InChIKey: FJFYFBRNDHRTHL-UHFFFAOYAK