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Chemistry

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Also known as: Pentyl salicylate, Pentyl 2-hydroxybenzoate, 2050-08-0, Benzoic acid, 2-hydroxy-, pentyl ester, Salicylic acid, pentyl ester, 2-hydroxybenzoic acid, pentyl ester
Molecular Formula
C12H16O3
Molecular Weight
208.25  g/mol
InChI Key
RANVDUNFZBMTBK-UHFFFAOYSA-N
FDA UNII
VZO9C30208

Amyl Salicylate
amyl salicylate is a natural product found in Vanilla planifolia with data available.
1 2D Structure

Amyl Salicylate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pentyl 2-hydroxybenzoate
2.1.2 InChI
InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3
2.1.3 InChI Key
RANVDUNFZBMTBK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCOC(=O)C1=CC=CC=C1O
2.2 Other Identifiers
2.2.1 UNII
VZO9C30208
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Pentyl Salicylate

2.3.2 Depositor-Supplied Synonyms

1. Pentyl Salicylate

2. Pentyl 2-hydroxybenzoate

3. 2050-08-0

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

5. Salicylic Acid, Pentyl Ester

6. 2-hydroxybenzoic Acid, Pentyl Ester

7. N-amyl Salicylate

8. Amylester Kyseliny Salicylove

9. Salicylic Acid, Amyl Ester

10. Salicylic Acid-pentyl Ester

11. Vzo9c30208

12. Nsc-44877

13. Nsc-46125

14. Nsc-403668

15. Wln: Qr Dvo5

16. Caswell No. 049aa

17. Einecs 218-080-2

18. Nsc 44877

19. Nsc 46125

20. Amylester Kyseliny Salicylove [czech]

21. Nsc 403668

22. Amylsalicylat

23. Brn 2577253

24. Unii-vzo9c30208

25. Ai3-00334

26. Salicylic Acid Amyl

27. Salicylic Acid Pentyl Ester

28. Schembl88285

29. Amyl Salicylate [inci]

30. Dtxsid9029227

31. Chebi:88386

32. Amyl Salicylate [who-dd]

33. Nsc44877

34. Nsc46125

35. Zinc1677092

36. Amyl Salicylate, Analytical Standard

37. Nsc403668

38. Akos015890783

39. 6-methoxy-6-oxo-5,5-diphenylhexanoic Acid

40. Ft-0708371

41. 050a080

42. Q27160231

43. Salicylic Acid-pentyl Ester 1000 Microg/ml In Acetonitrile

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 208.25 g/mol
Molecular Formula C12H16O3
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.109944368 g/mol
Monoisotopic Mass208.109944368 g/mol
Topological Polar Surface Area46.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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05-Jan-2021
30-Nov-2024
KGS
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Average Price (USD/KGS)

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Total Quantity (KGS)

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Quantity (KGS) & Unit rate (USD/KGS) over time

API Imports and Exports

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(USD/KGS)
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