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Technical details about Menthoglycol, learn more about the structure, uses, toxicity, action, side effects and more

Menthoglycol

Synopsis, Chemistry

Menthoglycol
Chemistry
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1. Also known as: 42822-86-6, 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol, Para-menthane-3,8-diol, 3,8-p-menthanediol, Citriodiol, Geranodyle

Molecular Formula

C₁₀H₂₀O₂

Molecular Weight

172.26 g/mol

InChI Key

LMXFTMYMHGYJEI-UHFFFAOYSA-N

FDA UNII

6T6Z1Z1NC4

p-menthane-3,8-diol is a natural product found in Litsea cubeba, Corymbia citriodora, and Schisandra chinensis with data available.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

2.1.2 InChI

InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3

2.1.3 InChI Key

LMXFTMYMHGYJEI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCC(C(C1)O)C(C)(C)O

2.2 Other Identifiers

2.2.1 UNII

6T6Z1Z1NC4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(2'-hydroxypropan-2'-yl)-5-methylcyclohexanol

2. 2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol

3. Geranodyle

4. P-menthane-1,8-diol

5. Para-menthane-3,8-diol

6. Terpin

7. Terpin Hydrate

8. Terpin, Monohydrate(cis)-isomer

9. Terpin, Titanium (+4) Salt

2.3.2 Depositor-Supplied Synonyms

1. 42822-86-6

2. 2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

3. Para-menthane-3,8-diol

4. 3,8-p-menthanediol

5. Citriodiol

6. Geranodyle

7. 2-(2-hydroxypropan-2-yl)-5-methylcyclohexanol

8. Geranium Cyclohexane

9. 2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol

10. 6t6z1z1nc4

11. P-menthan-3,8-diol

12. 2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol

13. 8-hydroxymenthol

14. Unii-6t6z1z1nc4

15. Cubebaol

16. Einecs 255-953-7

17. Oil Of Lemon Eucalyptus

18. Cyclohexanemethanol,2-hydroxy-a,a,4-trimethyl-

19. 2-hydroxy-

20. A,

21. A,4-trimethylcyclohexanemethanol

22. Citriodiol [who-dd]

23. Schembl80731

24. Amy584

25. Dtxsid0035744

26. Fema No. 4053

27. Chebi:48250

28. 1-hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methylcyclohexane

29. P-menthane-3,8-diol (natural)

30. Cyclohexanemethanol, 2-hydroxy-.alpha.,.alpha.,4-trimethyl-

31. Mfcd12756283

32. Akos015902316

33. P-menthane-3,8-diol [fhfi]

34. Sb84527

35. (+/-)-p-menthane-3,8-diol

36. As-57135

37. Da-05917

38. Cis-1,3,trans-1,4-p-menthane-3,8-diol

39. P-menthane-3,8-diol, (+/-)-

40. (1alpha,3beta,4beta)-p-menthane-3,8-diol

41. Cs-0152685

42. Ft-0623947

43. Ft-0770276

44. 2-(2-hydroxy-2-propyl)-5-methyl-cyclohexanol

45. F20699

46. 2-hydroxy-a,a,4-trimethylcyclohexanemethanol, 9ci

47. 822m866

48. P-menthan-3,8-diol 100 Microg/ml In Acetonitrile

49. Q3359470

50. W-106259

51. 2-hydroxy-alpha,alpha,4-trimethyl-cyclohexanemethanol

52. Cyclohexanemethanol, 2-hydroxy-alpha,alpha,4-trimethyl-

53. Cyclohexanemethanol,2-hydroxy-a,a,4-trimethyl-, (1r,2s,4r)-

54. 1-hydroxy-5-methyl-2-(1-methyl-1-hydroxyethyl)cyclohexane

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₂₀O₂
Molecular Weight	172.26 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	172.146329876 g/mol
Monoisotopic Mass	172.146329876 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Expectorants

Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here. (See all compounds classified as Expectorants.)

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