CAS 22972-51-6

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11 Related Intermediates

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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

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END USE APIs

01

Cannabidiol

Transo-Pharm USA LLC

U.S.A

TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

Axplora

Germany

Axplora is your partner of choice for complex APIs.

Biophore India Pharmaceut...

India

Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

Veranova

U.S.A

Veranova: A CDMO that manages complexity with confidence.

Cohance Lifesciences

India

Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

Malladi Drugs & Pharmaceu...

India

Malladi is a leader in Ephedrine, Pseudoephedrine Salts & Phenylephrine HCl // USFDA, EDQM, ANSM, KFDA, and TGA inspected.

02

Tetrahydrocannabinol

Malladi Drugs & Pharmaceu...

India

Malladi is a leader in Ephedrine, Pseudoephedrine Salts & Phenylephrine HCl // USFDA, EDQM, ANSM, KFDA, and TGA inspected.

Transo-Pharm USA LLC

U.S.A

TransoPharm USA works in the Sourcing and Management of Active Pharmaceutical Ingredients.

LGM Pharma

U.S.A

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Laboratorium Ofichem B.V

Netherlands

Laboratorium Ofichem, offering a flexible, high-tech environment to produce broad range of APIs for Human & Vet pharmaceutical markets.

Noramco

U.S.A

Noramco is a partner to the pharmaceutical industry for controlled substance development & manufacturing.

Purisys LLC

U.S.A

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