Basic information
- Name:
Ken-React TSM 2-7
- CAS No.:
61548-33-2
- Molecular Structure:
- Formula:
- C29H56O7Ti
- Molecular Weight:
- 564.6177
- Deleted CAS:
- 80057-44-9
- Synonyms:
- PleiotrophinsPlenact 7;Titanium,(isooctadecanoato-kO)bis(2-methyl-2- propenoato-kO)(2-propanolato)-;
- Boiling Point:
- 400.8 °C at 760 mmHg
- Flash Point:
- 225.6 °C
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Specification
The Ken-React TSM 2-7, with CAS registry number 61548-33-2, has the systematic name of 16-methylheptadecanoic acid; 2-methylprop-2-enoic acid; propan-2-ol; titanium. Besides this, it is also called Isopropyl dimethacryl isostearoyl titanate. And the chemical formula of this chemical is C29H56O7Ti. What's more, its EINECS is 262-836-4.
Physical properties of Ken-React TSM 2-7: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.24; (4)ACD/LogD (pH 7.4): 5.44; (5)ACD/BCF (pH 5.5): 119777.13; (6)ACD/BCF (pH 7.4): 1921.53; (7)ACD/KOC (pH 5.5): 89208.37; (8)ACD/KOC (pH 7.4): 1431.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 26.3 Å2; (13)Flash Point: 225.6 °C; (14)Enthalpy of Vaporization: 71.52 kJ/mol; (15)Boiling Point: 400.8 °C at 760 mmHg; (16)Vapour Pressure: 1.52E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ti].O=C(O)CCCCCCCCCCCCCCC(C)C.O=C(O)\C(=C)C.O=C(O)\C(=C)C.OC(C)C
(2)InChI: InChI=1/C18H36O2.2C4H6O2.C3H8O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;2*1-3(2)4(5)6;1-3(2)4;/h17H,3-16H2,1-2H3,(H,19,20);2*1H2,2H3,(H,5,6);3-4H,1-2H3
(3)InChIKey: HIQAWCBKWSQMRQ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C18H36O2.2C4H6O2.C3H8O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;2*1-3(2)4(5)6;1-3(2)4;/h17H,3-16H2,1-2H3,(H,19,20);2*1H2,2H3,(H,5,6);3-4H,1-2H3
(5)Std. InChIKey: HIQAWCBKWSQMRQ-UHFFFAOYSA-N