Menthyl Acetate

Synopsis, Chemistry

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Also known as: 16409-45-3, Menthol, acetate, 89-48-5, Menthyl acetate racemic, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, 29066-34-0

Molecular Formula

C₁₂H₂₂O₂

Molecular Weight

198.30 g/mol

InChI Key

XHXUANMFYXWVNG-UHFFFAOYSA-N

l-menthyl acetate is a natural product found in Mentha canadensis with data available.

1 2D Structure

Menthyl Acetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-methyl-2-propan-2-ylcyclohexyl) acetate

2.1.2 InChI

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3

2.1.3 InChI Key

XHXUANMFYXWVNG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCC(C(C1)OC(=O)C)C(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 16409-45-3

2. Menthol, Acetate

3. 89-48-5

4. Menthyl Acetate Racemic

5. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate

6. 29066-34-0

7. (5-methyl-2-propan-2-ylcyclohexyl) Acetate

8. 2623-23-6

9. (+/-)-menthyl Acetate

10. 2230-87-7

11. 2-isopropyl-5-methylcyclohexyl Acetate

12. (+)-neomenthyl Acetate

13. D-neomenthyl Acetate

14. L-menthyl Acetate;(-)-menthyl Acetate

15. 5-methyl-2-(1-methylethyl)cyclohexanol Acetate

16. Neomenthol Acetate

17. Fema Number 2668

18. Hsdb 824

19. (.+/-.)-menthol Acetate

20. Einecs 240-459-6

21. Acetic Acid, P-menth-3-yl Ester, Dl-

22. Ai3-36197

23. Menthanyl Acetate

24. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1r,2r,5r)-rel-

25. Menthol, Neo-

26. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1.alpha.,2.beta.,5.alpha.)-

27. 20777-36-0

28. Einecs 218-767-7

29. (5r)-2-isopropyl-5-methylcyclohexyl Acetate

30. Starbld0011430

31. Menthyl Acetate, 97%

32. Menthylacetate97

33. (2-isopropyl-5-methyl-cyclohexyl) Acetate

34. Acetic Acid Menthyl Ester

35. Schembl57396

36. Chembl254585

37. 2-isopropyl-5-methylcyclohexyl Acetate, (1.alpha.,2.beta.,5.alpha.)-

38. Dtxsid20859153

39. Nsc7350

40. Acetic Acid, P-menth-3-yl Ester

41. Chebi:191550

42. (1s)-(+)-menthylacetate

43. Nsc-7350

44. Dl-menthyl Acetate, >=97%, Fg

45. Nsc122112

46. Akos015837885

47. Cis-1,3,trans-1,4- Menthol Acetate

48. Nsc 122112

49. Nsc-122112

50. Sb44841

51. Sb46743

52. As-83629

53. Db-063670

54. Db-071375

55. Ft-0604526

56. Ft-0604554

57. Ft-0628207

58. Ft-0631427

59. Ft-0690234

60. Ft-0694110

61. W-100373

62. Cyclohexanol, Acetate, (1.alpha.,2.alpha.,5.beta.)-

63. Menthyl Acetate, Primary Pharmaceutical Reference Standard

64. Cyclohexanol, Acetate, [1s-(1.alpha.,2.alpha.,5.beta.)]-

65. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1alpha,2alpha,5beta)-

66. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, Acetate, (1.alpha.,2.beta.,5.alpha.)-(.+/-.)-

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₂O₂
Molecular Weight	198.30 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	198.161979940 g/mol
Monoisotopic Mass	198.161979940 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1