CAS 500-66-3

Chemistry, 3 End Use API, 10 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 500-66-3, 5-pentylbenzene-1,3-diol, 5-pentylresorcinol, 5-n-amylresorcinol, 5-pentyl-1,3-benzenediol, 3,5-dihydroxyamylbenzene

Molecular Formula

C₁₁H₁₆O₂

Molecular Weight

180.24 g/mol

InChI Key

IRMPFYJSHJGOPE-UHFFFAOYSA-N

FDA UNII

65OP0NEZ1P

olivetol is a natural product found in Ardisia virens, Primula obconica, and Cannabis sativa with data available.

1 2D Structure

CAS 500-66-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-pentylbenzene-1,3-diol

2.1.2 InChI

InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3

2.1.3 InChI Key

IRMPFYJSHJGOPE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCC1=CC(=CC(=C1)O)O

2.2 Other Identifiers

2.2.1 UNII

65OP0NEZ1P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-pentyl-1,3-dihydroxybenzene

2.3.2 Depositor-Supplied Synonyms

1. 500-66-3

2. 5-pentylbenzene-1,3-diol

3. 5-pentylresorcinol

4. 5-n-amylresorcinol

5. 5-pentyl-1,3-benzenediol

6. 3,5-dihydroxyamylbenzene

7. 1,3-benzenediol, 5-pentyl-

8. 5-n-pentylresorcinol

9. Resorcinol, 5-pentyl-

10. Ccris 6084

11. 1,3-dihydroxy-5-pentylbenzene

12. While Olivetol

13. 5-(1-pentyl)resorcinol

14. Chebi:66960

15. Mfcd00002293

16. 65op0nez1p

17. Dsstox_cid_5812

18. Dsstox_rid_77932

19. Dsstox_gsid_25812

20. Cas-500-66-3

21. Einecs 207-908-8

22. Unii-65op0nez1p

23. Brn 0908277

24. Olivetol (6ci)

25. Olivetol, 95%

26. 5-n-pentyl Resorcinol

27. 5-pentyl-benzene-1,3-diol

28. Schembl69517

29. 3-06-00-04695 (beilstein Handbook Reference)

30. 5-pentyl-1,3-benzenediol #

31. Chembl154533

32. Dtxsid0025812

33. Resorcinol, 5-pentyl- (8ci)

34. 3 Pound Not5-hydroxypentylbenzene

35. Amy15297

36. Bcp05148

37. Zinc2040431

38. Tox21_202349

39. Tox21_303332

40. Bdbm50555907

41. Fd7124

42. Lmpk15030008

43. S5119

44. Akos015843209

45. 1,3-benzenediol, 5-pentyl- (9ci)

46. Ccg-266434

47. Cs-w008364

48. Gs-0903

49. Hy-w008364

50. Smp1_000226

51. Ncgc00091140-01

52. Ncgc00091140-02

53. Ncgc00257098-01

54. Ncgc00259898-01

55. Ac-26318

56. Sy104495

57. Db-007795

58. Ft-0600424

59. Ft-0673271

60. 5-n-pentylresorcinol;5-pentyl-1,3-benzenediol

61. 500o663

62. A827958

63. J-640255

64. J-800254

65. Q3881822

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆O₂
Molecular Weight	180.24 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	180.115029749 g/mol
Monoisotopic Mass	180.115029749 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	126
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1