Sodium Ethylparaben

Synopsis, Chemistry

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Also known as: 35285-68-8, Sodium ethyl p-hydroxybenzoate, Sodium 4-(ethoxycarbonyl)phenolate, Ethylparaben sodium, Sodium;4-ethoxycarbonylphenolate, Ethylparaben, sodium salt

Molecular Formula

C₉H₉NaO₃

Molecular Weight

188.16 g/mol

InChI Key

QYNMSPKSYXPZHG-UHFFFAOYSA-M

FDA UNII

Z0D00IVA10

1 2D Structure

Sodium Ethylparaben

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;4-ethoxycarbonylphenolate

2.1.2 InChI

InChI=1S/C9H10O3.Na/c1-2-12-9(11)7-3-5-8(10)6-4-7;/h3-6,10H,2H2,1H3;/q;+1/p-1

2.1.3 InChI Key

QYNMSPKSYXPZHG-UHFFFAOYSA-M

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

Z0D00IVA10

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 35285-68-8

2. Sodium Ethyl P-hydroxybenzoate

3. Sodium 4-(ethoxycarbonyl)phenolate

4. Ethylparaben Sodium

5. Sodium;4-ethoxycarbonylphenolate

6. Ethylparaben, Sodium Salt

7. Sodium Ethyl Parahydroxybenzoate

8. Z0d00iva10

9. 4-hydroxybenzoic Acid, Ethyl Ester, Sodium Salt

10. 4-hydroxybenzoic Acid-ethyl Ester Sodium

11. Ethylparaben Sodium (nf)

12. Ethylparaben Sodium [nf]

13. Sodium 4-ethoxycarbonylphenoxide

14. Einecs 252-487-6

15. Ethyl P-hydroxybenzoate, Sodium Salt

16. Unii-z0d00iva10

17. Ethylparaben Sodium Salt

18. Sodium Ethyl Hydroxybenzoate

19. Schembl475793

20. Dtxsid0042402

21. Sodium Ethylparaben [inci]

22. Sodium; 4-ethoxycarbonyl-phenolate

23. Ethyl Hydroxybenzoate Sodium

24. Act02627

25. Mfcd00016475

26. Sodium Ethyl 4-hydroxybenzoate

27. Akos006229160

28. Ethylparaben, Sodium Salt [ii]

29. Sodium 4-(ethoxycarbonyl)benzen-1-olate

30. E215

31. Cs-0151760

32. E-215

33. Ft-0688110

34. Sodium Ethyl Hydroxybenzoate [mart.]

35. D10929

36. E78650

37. Q3963917

38. W-106682

39. Sodium Ethyl Parahydroxybenzoate [ep Monograph]

40. Benzoic Acid, P-hydroxy-, Ethyl Ester, Sodium Deriv.

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NaO₃
Molecular Weight	188.16 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	188.04493843 g/mol
Monoisotopic Mass	188.04493843 g/mol
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	153
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