CAS 3360-41-6

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Chemistry

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Also known as: 4-phenylbutan-1-ol, 3360-41-6, Benzenebutanol, 4-phenylbutanol, Phenylbutyl alcohol, 4-phenylbutyl alcohol

Molecular Formula

C₁₀H₁₄O

Molecular Weight

150.22 g/mol

InChI Key

LDZLXQFDGRCELX-UHFFFAOYSA-N

FDA UNII

Q5ORZ1321G

4-phenylbutanol is a natural product found in Lavandula stoechas with data available.

1 2D Structure

CAS 3360-41-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-phenylbutan-1-ol

2.1.2 InChI

InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2

2.1.3 InChI Key

LDZLXQFDGRCELX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CCCCO

2.2 Other Identifiers

2.2.1 UNII

Q5ORZ1321G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-phenyl-2-butanol

2. 4-phenylbutanol

2.3.2 Depositor-Supplied Synonyms

1. 4-phenylbutan-1-ol

2. 3360-41-6

3. Benzenebutanol

4. 4-phenylbutanol

5. Phenylbutyl Alcohol

6. 4-phenylbutyl Alcohol

7. 1-butanol, 4-phenyl-

8. 4-phenyl Butanol-1

9. 4-phenyl-butan-1-ol

10. 4-phenyl-n-butanol

11. Mfcd00002971

12. Q5orz1321g

13. 1-butanol, 4-phenyl- (8ci)

14. Nsc-71383

15. 4-phenyl Butanol

16. Phenbutanol

17. Unii-q5orz1321g

18. Einecs 222-128-8

19. Nsc 71383

20. 1-phenyl-4-butanol

21. 1-butanol, Phenyl-

22. 4-phenyl Butan-1-ol

23. Ai3-11560

24. Schembl2205

25. Nciopen2_000492

26. 4-phenyl-1-butanol, 99%

27. Dtxsid3062994

28. Ldzlxqfdgrcelx-uhfffaoysa-

29. 4-phenyl-1-butyl Alcohol

30. Act04259

31. Bcp16469

32. Nsc71383

33. Zinc1696779

34. Bbl104162

35. Stl557976

36. Akos005254925

37. Cs-w018137

38. Ac-23988

39. As-17613

40. Sy015871

41. Db-023073

42. Am20040203

43. Ft-0619385

44. P1275

45. A25192

46. W-106770

47. Q27287033

48. 55053-52-6

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄O
Molecular Weight	150.22 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	150.104465066 g/mol
Monoisotopic Mass	150.104465066 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	84.9
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