(1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl chloroacetate
[CAS# 71804-27-8]

Identification

• Name: (1R,2S,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl chloroacetate
• Synonyms: (+)-8-PHENYLMENTHYLCHLOROACETATE; -8-PHENYLMENTHYLCHLOROACETATE
• Molecular Formula: C₁₈H₂₅ClO₂
• Molecular Weight: 308.84
• CAS Registry Number: 71804-27-8
• SMILES: O=C(O[C@H]1[C@@H](CC[C@H](C1)C)C(c2ccccc2)(C)C)CCl
• InChI: 1S/C18H25ClO2/c1-13-9-10-15(16(11-13)21-17(20)12-19)18(2,3)14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3/t13-,15-,16-/m1/s1
• InChIKey: GYWWQECFQIGECM-FVQBIDKESA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Boiling point: 385.281°C at 760 mmHg (Cal.)
• Flash point: 188.265°C (Cal.)

References

• (1): F. Sieder, K. Eichinger and K. Mereiter. (1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl chloroacetate, Acta Cryst. (2006). E62, o2291-o2292