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Molecular Structure of 3-L-Menthoxy-2-methylpropane-1,2-diol (CAS NO.195863-84-4):
Systematic Name: 2-Methyl-3-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}propane-1,2-diol
Molecular Formula: C14H28O3
Molecular Weight: 244.37
FEMA: 3849
Mol File: 195863-84-4.mol
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 7
Index of Refraction: 1.48
Molar Refractivity: 69.552 cm3
Molar Volume: 244.998 cm3
Surface Tension: 36.878 dyne/cm
Density: 0.997 g/cm3
Flash Point: 178.472 °C
Enthalpy of Vaporization: 71.568 kJ/mol
Boiling Point: 371.491 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: CC(C)C1CCC(C)CC1OCC(C)(O)CO
InChI: InChI=1/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3
InChIKey: XCNCWOPROFTLGU-UHFFFAOYAG
3-L-Menthoxy-2-methylpropane-1,2-diol (CAS NO.195863-84-4), its Synonyms are 1,2-Propanediol, 2-methyl-3-(((1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl)oxy)- ; 1,2-Propanediol,2-methyl-3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, [1R-(1a,2b,5a)]-[partial]- ; L-2-Methyl-3-[5-methyl-2-(1-methylethyl)cyclohexyl]oxy-1,2-propanediol ; 2-Methyl-3-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol .