Product Name

3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol Specification

The 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol is an organic compound with the formula C13H26O3. The systematic name of this chemical is 3-{[5-methyl-2-(1-methylethyl)cyclohexyl]oxy}propane-1,2-diol. With the CAS registry number 87061-04-9, it is also named as 1,2-propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-. The product's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol are: (1)ACD/LogP: 2.63; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 27.69 Å2; (6)Index of Refraction: 1.478; (7)Molar Refractivity: 64.89 cm3; (8)Molar Volume: 228.8 cm3; (9)Polarizability: 25.72×10-24cm3; (10)Surface Tension: 37.2 dyne/cm; (11)Density: 1 g/cm3; (12)Flash Point: 173.2 °C; (13)Enthalpy of Vaporization: 70.47 kJ/mol; (14)Boiling Point: 362.8 °C at 760 mmHg; (15)Vapour Pressure: 9.88E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC(O)CO)C1CC(CCC1C(C)C)C
(2)InChI: InChI=1/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3
(3)InChIKey: MDVYIGJINBYKOM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3
(5)Std. InChIKey: MDVYIGJINBYKOM-UHFFFAOYSA-N

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