Sodium Propylparaben

Synopsis, Chemistry

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Also known as: 35285-69-9, Sodium propylparaben, Sodium 4-(propoxycarbonyl)phenolate, Propyl 4-hydroxybenzoate sodium salt, Propylparaben sodium salt, Parasept

Molecular Formula

C₁₀H₁₁NaO₃

Molecular Weight

202.18 g/mol

InChI Key

IXMINYBUNCWGER-UHFFFAOYSA-M

FDA UNII

625NNB0G9N

1 2D Structure

Sodium Propylparaben

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;4-propoxycarbonylphenolate

2.1.2 InChI

InChI=1S/C10H12O3.Na/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h3-6,11H,2,7H2,1H3;/q;+1/p-1

2.1.3 InChI Key

IXMINYBUNCWGER-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCOC(=O)C1=CC=C(C=C1)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

625NNB0G9N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 35285-69-9

2. Sodium Propylparaben

3. Sodium 4-(propoxycarbonyl)phenolate

4. Propyl 4-hydroxybenzoate Sodium Salt

5. Propylparaben Sodium Salt

6. Parasept

7. Sodium;4-propoxycarbonylphenolate

8. Sodium Propyl Hydroxybenzoate

9. Propyl P-hydroxybenzoate, Sodium Salt

10. Sodium Propyl Paraben

11. Sodium Propyl Parahydroxybenzoate

12. Propylparaben (sodium)

13. E217

14. 625nnb0g9n

15. Caswell No. 714a

16. Sodium 4-propoxycarbonylphenoxide

17. Propylparaben Sodium [usan]

18. Natrium Propyl 4-hydroxybenzoat

19. Propyl-4-hydroxybenzoat Natriumsalz

20. Einecs 252-488-1

21. Propylparaben, Sodium Salt

22. Epa Pesticide Chemical Code 061204

23. Unii-625nnb0g9n

24. Sodium Propyl 4-hydroxybenzoate

25. Propylparaben Sodium [usan:nf]

26. Propylparabensodium

27. Propylparaben Sodium (nf)

28. 4-hydroxybenzoic Acid, Propyl Ester, Sodium Salt

29. Schembl48862

30. Chembl2107021

31. Dtxsid3042348

32. Sodium,4-propoxycarbonylphenolate

33. Hy-n2026a

34. Propylparaben Sodium [ii]

35. Sodium Propylparaben [inci]

36. Mfcd00016477

37. 4-(sodiooxy)benzoic Acid Propyl Ester

38. Akos015961951

39. 4-hydroxybenzoic Acid-propyl Ester Sodium

40. Ac-15528

41. As-14864

42. Db-048766

43. Cs-0128919

44. Ft-0639250

45. Sodium Propyl Hydroxybenzoate [mart.]

46. D02459

47. E75928

48. Sodium Propyl P-hydroxybenzoate (e 217)

49. Q3963919

50. W-106681

51. Sodium Propyl Parahydroxybenzoate [ep Monograph]

52. Benzoic Acid, P-hydroxy-, Propyl Ester, Sodium Deriv.

53. Benzoic Acid, 4-hydroxy-, Propyl Ester, Sodium Salt (1:1)

54. Propyl 4-hydroxybenzoate Sodium Salt, Tested According To Ph.eur.

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₁NaO₃
Molecular Weight	202.18 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	202.06058849 g/mol
Monoisotopic Mass	202.06058849 g/mol
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
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	2