What can I do for you?
Get Best Price
The 1-Phenyl-1,3,3-trimethylindan, with the CAS registry number 3910-35-8 and EINECS registry number 223-467-4, has the systematic name of 1,1,3-trimethyl-3-phenyl-2,3-dihydro-1H-indene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C18H20.
The characteristics of 1-Phenyl-1,3,3-trimethylindan are as followings: (1)ACD/LogP: 6.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.16; (4)ACD/LogD (pH 7.4): 6.16; (5)ACD/BCF (pH 5.5): 28451.73; (6)ACD/BCF (pH 7.4): 28451.73; (7)ACD/KOC (pH 5.5): 53682.84; (8)ACD/KOC (pH 7.4): 53682.84; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 76.8 cm3; (15)Molar Volume: 239.5 cm3; (16)Polarizability: 30.44×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.986 g/cm3; (19)Flash Point: 156.5 °C; (20)Enthalpy of Vaporization: 52.73 kJ/mol; (21)Boiling Point: 308.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00123 mmHg at 25°C.
Preparation of 1-Phenyl-1,3,3-trimethylindan: This chemical can be prepared by ethane-1,2-diol and 1-phenyl-ethanone. The reaction will need catalyst TsOH, and the menstruum benzene. The reaction time is 18 hours with heating, and the yield is about 42%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cccc3c1C(c2ccccc2)(CC3(C)C)C
(2)InChI: InChI=1/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3
(3)InChIKey: ICLPNZMYHDVKKI-UHFFFAOYAA
Indan,1,1,3-trimethyl-3-phenyl- (6CI,7CI,8CI);1,1,3-Trimethyl-3-phenylindan;1,1,3-Trimethyl-3-phenylindane;1,2-Dihydro-1,3,3-trimethyl-1-phenylindene;1,3,3-Trimethyl-1-phenylindan;1,3,3-Trimethyl-1-phenylindane;1-Phenyl-1,3,3-trimethylindane;NSC 11311;NSC55135;Indan, 1,1,3-trimethyl-3-phenyl-;1-Phenyl-1,3,3-trimethylindan;