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| CAS No.: | 87061-04-9 |
|---|---|
| Name: | 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol |
| Article Data: | 4 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C13H26O3 |
| Molecular Weight: | 230.348 |
| Synonyms: | TK 10; |
| EINECS: | 289-296-2 |
| Density: | 1 g/cm3 |
| Boiling Point: | 362.8 °C at 760 mmHg |
| Flash Point: | 173.2 °C |
| Solubility: | 2.27g/L at 20℃ |
| PSA: | 49.69000 |
| LogP: | 1.81700 |
- 870615-40-06H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (-)-
- 870615-43-36H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-
- 87061-56-1BIS(TRIETHOXYSILYL)ETHYLENE
- 870621-17-31-Pyrrolidinecarboxylicacid, 3-amino-, phenylmethyl ester, hydrochloride (1:1), (3R)-
- 870-63-32-Butene,1-bromo-3-methyl-
- 870653-45-57H-Furo[3,2-g][1]benzopyran-7-one,4-(4-phenoxybutoxy)-
- 87066-94-2Benzenemethanol,2-(1-piperidinyl)-
- 870703-61-06-(DI-BOC-AMINO)-2-BROMOPYRIDINE
- 870703-62-13-ACETYL-2,6-DIMETHOXYPYRIDINE, 97%
- 870703-71-2Benzenamine,4-bromo-2-chloro-6-(trifluoromethyl)-
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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