Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 849Xls
2D Structure
Also known as: 1445-91-6, (s)-(-)-1-phenylethanol, (1s)-1-phenylethanol, (1s)-1-phenylethan-1-ol, 1-phenylethanol, (s)-, (-)-methyl phenyl carbinol
Molecular Formula
C8H10O
Molecular Weight
122.16  g/mol
InChI Key
WAPNOHKVXSQRPX-ZETCQYMHSA-N
FDA UNII
2MIC4QLY2X

(S)-1-phenylethanol is a natural product found in Alpinia oxyphylla, Cyperus conglomeratus, and Triticum aestivum with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-1-phenylethanol
2.1.2 InChI
InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
2.1.3 InChI Key
WAPNOHKVXSQRPX-ZETCQYMHSA-N
2.1.4 Canonical SMILES
CC(C1=CC=CC=C1)O
2.1.5 Isomeric SMILES
C[C@@H](C1=CC=CC=C1)O
2.2 Other Identifiers
2.2.1 UNII
2MIC4QLY2X
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1445-91-6

2. (s)-(-)-1-phenylethanol

3. (1s)-1-phenylethanol

4. (1s)-1-phenylethan-1-ol

5. 1-phenylethanol, (s)-

6. (-)-methyl Phenyl Carbinol

7. (s)-1-phenyl-ethanol

8. (s)-(-)-phenylethanol

9. (s)-1-phenyl-1-ethanol

10. (s)-1-phenylethan-1-ol

11. Benzenemethanol, .alpha.-methyl-, (.alpha.s)-

12. (s)-(-)-1-phenylethyl Alcohol

13. S-1-phenylethanol

14. 2mic4qly2x

15. (s)-1-phenethyl Alcohol

16. (s)-1-phenylethyl Alcohol

17. (s)-alpha-methylbenzenemethanol

18. Chebi:16346

19. (s)-(-)-alpha-methylbenzyl Alcohol

20. [s]-1-phenylethanol

21. 1-phenylethanol #

22. Benzenemethanol, .alpha.-methyl-, (s)-

23. Unii-2mic4qly2x

24. (1s)-1-phenyl-ethanol

25. (s)-(-)-sec-phenethyl Alcohol

26. (s)-phenylethanol

27. (s)-(-)-sec-phenylethyl Alcohol

28. Benzenemethanol, Alpha-methyl-, (s)-

29. (-)-1-phenylethanol

30. (-)-sec-phenethyl Alcohol

31. Schembl7144

32. 1-phenyl-(1s)-ethan-1-ol

33. Chembl348446

34. (s)-phenylmethylcarbinol

35. Dtxsid4073259

36. 1-phenylethanol, (-)-

37. Zinc896625

38. (-)-.alpha.-phenylethanol

39. (-)-1-phenyl-1-ethanol

40. (-)-1-phenylethyl Alcohol

41. (-)-(s)-1-phenylethanol

42. (alphas)-alpha-methylbenzenemethanol

43. Benzenemethanol, A-methyl-, (as)-

44. Hy-78093a

45. Mfcd00064264

46. S3365

47. (s)-(-)-1-phenylethanol, 97%

48. Akos016842975

49. Am84405

50. (-)-.alpha.-phenethyl Alcohol

51. (-)-.alpha.-methylbenzyl Alcohol

52. As-13396

53. Bp-10717

54. Ss1

55. Benzenemethanol, Alpha-methyl-, (alphas)-

56. Db-009378

57. Cs-0007824

58. P0796

59. En300-87752

60. F13077

61. (1s)-1-phenylethanol;(s)-(-)-1-phenylethanol

62. 445p916

63. A808240

64. (s)-(-)-1-phenylethanol, For Chiral Derivatization

65. J-007970

66. J-501784

67. Q26841260

68. (s)-(-)-1-phenylethanol, >=98.5% (sum Of Enantiomers, Gc)

69. (s)-(-)-1-phenylethanol, For Chiral Derivatization, >=99.0%

70. (s)-(-)-1-phenylethanol, Chipros(r), Produced By Basf, 98%

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 122.16 g/mol
Molecular Formula C8H10O
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass122.073164938 g/mol
Monoisotopic Mass122.073164938 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity74.6
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1