CAS 22972-51-6

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3 End Use APIs
13 Related Intermediates

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2 Intermediates

Chemistry

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Also known as: 22972-51-6, Cis-isolimonenol, (1s,4r)-p-mentha-2,8-dien-1-ol, 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s,4r)-, 2,8-p-menthadien-1-ol, cis-(+)-, (1s,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

Molecular Formula

C₁₀H₁₆O

Molecular Weight

152.23 g/mol

InChI Key

MKPMHJQMNACGDI-VHSXEESVSA-N

FDA UNII

1EOK52ZYQH

1 2D Structure

Menthadienol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

2.1.2 InChI

InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10+/m0/s1

2.1.3 InChI Key

MKPMHJQMNACGDI-VHSXEESVSA-N

2.1.4 Canonical SMILES

CC(=C)C1CCC(C=C1)(C)O

2.1.5 Isomeric SMILES

CC(=C)[C@@H]1CC[C@](C=C1)(C)O

2.2 Other Identifiers

2.2.1 UNII

1EOK52ZYQH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 22972-51-6

2. Cis-isolimonenol

3. (1s,4r)-p-mentha-2,8-dien-1-ol

4. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s,4r)-

5. 2,8-p-menthadien-1-ol, Cis-(+)-

6. (1s,4r)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

7. (+)-p-mentha-2,8-dien-1-ol

8. (+)-cis-p-mentha-2,8-dien-1-ol

9. (+)-(1s,4r)-p-mentha-2,8-dien-1-ol

10. 1eok52zyqh

11. Fema No. 4411, Cis-(+)-

12. (1s,4r)-p-menth-2,8-dien-1-ol

13. (1s,4r)-4-isopropenyl-1-methylcyclohex-2-en-1-ol

14. (1s,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol

15. Rel-(1s,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-enol

16. 2-cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1s-cis)-

17. Unii-1eok52zyqh

18. Mfcd08460036

19. P-mentha-2,8-dien-1-beta-ol

20. Schembl1114907

21. Cis-p-mentha-2,8-diene 1-ol

22. Dtxsid50177519

23. Chebi:171955

24. Bcp12523

25. Cs-m3276

26. Zinc5158345

27. Cis-(+)-2,8-p-menthadien-1-ol

28. Fd7167

29. Akos006288260

30. Ds-4115

31. Ac-26319

32. Hy-41094

33. P-mentha-2,8-dien-1-.beta.-ol

34. P-mentha-2,8-dien-1-ol, (1s,4r)-

35. 972m516

36. A846922

37. (1s,4r)-4-isoprenyl-1-methylcyclohex-2-en-1-ol

38. Q27252332

39. (1s,4r)-1-methyl-4-(1-methylvinyl)-cyclohex-2-ene-1-ol

2.3.2 Other Synonyms

1. 4-methyl-beta-methylenecyclohex-3-ene-1-ethanol

2. 3269-90-7

3. 38142-45-9

4. Menthadienol

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆O
Molecular Weight	152.23 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	152.120115130 g/mol
Monoisotopic Mass	152.120115130 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1