Butyl Salicylate

Synopsis, Chemistry

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Also known as: Butyl 2-hydroxybenzoate, 2052-14-4, N-butyl salicylate, Benzoic acid, 2-hydroxy-, butyl ester, Butyl o-hydroxybenzoate, N-butyl o-hydroxybenzoate

Molecular Formula

C₁₁H₁₄O₃

Molecular Weight

194.23 g/mol

InChI Key

YFDUWSBGVPBWKF-UHFFFAOYSA-N

FDA UNII

QPR9LM8VZO

1 2D Structure

Butyl Salicylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butyl 2-hydroxybenzoate

2.1.2 InChI

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3

2.1.3 InChI Key

YFDUWSBGVPBWKF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCOC(=O)C1=CC=CC=C1O

2.2 Other Identifiers

2.2.1 UNII

QPR9LM8VZO

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Butyl 2-hydroxybenzoate

2. 2052-14-4

3. N-butyl Salicylate

4. Benzoic Acid, 2-hydroxy-, Butyl Ester

5. Butyl O-hydroxybenzoate

6. N-butyl O-hydroxybenzoate

7. Salicylic Acid, Butyl Ester

8. Salicylic Acid Butyl Ester

9. Salicylic Acid N-butyl Ester

10. Fema No. 3650

11. Butyl (2-hydroxyphenyl)formate

12. 1322-01-6

13. Nsc 1511

14. Benzoic Acid, Hydroxy-, Butyl Ester

15. Nsc 403676

16. 2-hydroxybenzoic Acid Butyl Ester

17. Qpr9lm8vzo

18. Nsc-1511

19. 2-hydroxy-benzoic Acid, Butyl Ester

20. Nsc-403676

21. Wln: 4ovr Bq

22. Unii-qpr9lm8vzo

23. Einecs 218-142-9

24. Brn 2208904

25. Brunol

26. Ai3-00512

27. Butoxycarbonylphenol

28. Butyl 2-oxidanylbenzoate

29. Butyl Salicylate, >=99%

30. Schembl62565

31. Salicylic Acid, N-butyl Ester

32. Butyl Salicylate [fhfi]

33. Chembl2260713

34. Dtxsid8062153

35. Fema 3650

36. Yfduwsbgvpbwkf-uhfffaoysa-

37. Nsc1511

38. Chebi:173949

39. 2-hydroxy-benzoic Acid Butyl Ester

40. Zinc1576866

41. Mfcd00020038

42. Nsc403676

43. Akos015890784

44. Cs-w010656

45. Bs-42154

46. Ft-0603583

47. S0010

48. A814643

49. Q27287442

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O₃
Molecular Weight	194.23 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094294304 g/mol
Monoisotopic Mass	194.094294304 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	179
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