aluminum trioctadecanoate

Synopsis, Chemistry

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Also known as: Aluminium stearate, 637-12-7, Aluminium tristearate, Aluminum octadecanoate, Aluminum tristearate, Octadecanoic acid, aluminum salt

Molecular Formula

C₅₄H₁₀₅AlO₆

Molecular Weight

877.4 g/mol

InChI Key

CEGOLXSVJUTHNZ-UHFFFAOYSA-K

FDA UNII

U6XF9NP8HM

Aluminum Stearate is the aluminum salt of the fatty acid, stearic acid.

1 2D Structure

aluminum trioctadecanoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

aluminum;octadecanoate

2.1.2 InChI

InChI=1S/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3

2.1.3 InChI Key

CEGOLXSVJUTHNZ-UHFFFAOYSA-K

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]

2.2 Other Identifiers

2.2.1 UNII

U6XF9NP8HM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aluminum Monostearate

2. Aluminum Tristearate

3. Ammonium Stearate

4. Calcium Stearate

5. Magnesium Stearate

6. Octadecanoic Acid

7. Sodium Stearate

8. Stearic Acid

9. Zinc Stearate

2.3.2 Depositor-Supplied Synonyms

1. Aluminium Stearate

2. 637-12-7

3. Aluminium Tristearate

4. Aluminum Octadecanoate

5. Aluminum Tristearate

6. Octadecanoic Acid, Aluminum Salt

7. Aluminum(iii) Stearate

8. Alugel 34tn

9. U6xf9np8hm

10. Octadecanoic Acid, Aluminum Salt (3:1)

11. Metasap Xx

12. Tribasic Aluminum Stearate

13. Rofob 3

14. Monoaluminum Stearate

15. Aluminum (iii) Stearate

16. Aluminum Stearate (1:3)

17. Aluminum Stearate, Tribasic

18. Hsdb 5733

19. Einecs 211-279-5

20. Unii-u6xf9np8hm

21. Aluminium Tristearate, Pure

22. Sa 1500

23. Dihydroxy(octanoato-o)aluminum

24. Ai3-01515

25. Aluminum;octadecanoate

26. Aluminum, Dihydroxy(octadecanoato-o)-

27. Aluminum Trioctadecanoate

28. Tristearic Acid Aluminum

29. Aluminium Trioctadecanoate

30. Aluminumtristearate

31. Alugel 30df

32. Alugel 34th

33. Rashayan Aluminium Stearate

34. Thompson's Water Seal

35. Aluminum Stearate [ii]

36. Aluminum Stearate [mi]

37. Dtxsid0027278

38. Chebi:37867

39. Aluminum Stearate [vandf]

40. Aluminum Tristearate [hsdb]

41. Aluminum Tristearate [inci]

42. Aluminium Stearate [who-dd]

43. Mfcd00036389

44. Akos015901563

45. Db11290

46. Aluminium Stearate [ep Monograph]

47. Ft-0622241

48. Q447821

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅₄H₁₀₅AlO₆
Molecular Weight	877.4 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	45
Exact Mass	876.7726545 g/mol
Monoisotopic Mass	876.7726545 g/mol
Topological Polar Surface Area	120 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	196
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	4