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Molecular Structure of L-Monomenthyl glutarate (CAS NO.220621-22-7):
Systematic Name: 5-[(1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexoxy]-5-oxo-pentanoic acid
Molecular Formula: C15H26O4
Molecular Weight: 270.36
FEMA: 4006
Mol File: 220621-22-7.mol
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 7
Index of Refraction: 1.478
Molar Refractivity: 72.87 cm3
Molar Volume: 257.4 cm3
Surface Tension: 38.4 dyne/cm
Density: 1.05 g/cm3
Flash Point: 137.4 °C
Enthalpy of Vaporization: 70.61 kJ/mol
Boiling Point: 393.4 °C at 760 mmHg
Vapour Pressure: 2.76E-07 mmHg at 25 °C
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CCCC(=O)O)C(C)C
InChI: InChI=1/C15H26O4/c1-10(2)12-8-7-11(3)9-13(12)19-15(18)6-4-5-14(16)17/h10-13H,4-9H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKey: CTMTYSVTTGVYAW-FRRDWIJNBE
L-Monomenthyl glutarate (CAS NO.220621-22-7), its Synonyms are Pentanedioic acid 1-[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester ; Pentanedioicacid, mono[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester (9CI) ; Ultracool 2 .