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Also known as: 68171-33-5, Isopropyl 16-methylheptadecanoate, Nikkol ipis, 31478-84-9, Wickenol 131, Propan-2-yl 16-methylheptadecanoate

Molecular Formula

C₂₁H₄₂O₂

Molecular Weight

326.6 g/mol

InChI Key

NEOZOXKVMDBOSG-UHFFFAOYSA-N

FDA UNII

C67IXB9Y7T

1 2D Structure

Isopropyl Isostearate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

propan-2-yl 16-methylheptadecanoate

2.1.2 InChI

InChI=1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3

2.1.3 InChI Key

NEOZOXKVMDBOSG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C

2.2 Other Identifiers

2.2.1 UNII

C67IXB9Y7T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 68171-33-5

2. Isopropyl 16-methylheptadecanoate

3. Nikkol Ipis

4. 31478-84-9

5. Wickenol 131

6. Propan-2-yl 16-methylheptadecanoate

7. Isooctadecanoic Acid, 1-methylethyl Ester

8. C67ixb9y7t

9. 2-propyl Isooctadecanoate

10. Isopropyl Isodecanoate

11. Isostearic Acid, Isopropyl Ester

12. 1-methylethyl Isooctadecanoate

13. Einecs 250-651-1

14. Isopropylisostearate

15. Unii-c67ixb9y7t

16. Einecs 269-023-3

17. Ipis

18. Crodamol Ipis

19. Dermol Ipis

20. Jeechem Ipis

21. Nikkol Epis

22. Unimate Ipis

23. Matlube Ii

24. Dub Isip

25. Isostearic Acid Isopropyl

26. Schercemol 318

27. Lanesta 10

28. Ec 269-023-3

29. Prisorine 2021

30. Witconol 2310

31. Schercemol 318 Ester

32. Heptadecanoic Acid, 16-methyl-, 1-methylethyl Ester

33. Isostearic Acid Isopropyl Ester

34. Prisorine Ipis 2021

35. Schembl8088310

36. Aec Isopropyl Isostearate

37. Dtxsid101015768

38. I-propyl 16-methyl-heptadecanoate

39. Isopropyl Isostearate [ii]

40. Zinc5757999

41. Isopropyl Isostearate [inci]

42. Isopropyl Isostearate [usp-rs]

43. Isopropyl Isostearate [who-dd]

44. Db-055113

45. Isopropyl Isostearate [ep Monograph]

46. Ft-0641164

47. Q27275243

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₄₂O₂
Molecular Weight	326.6 g/mol
XLogP3	9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	17
Exact Mass	326.318480578 g/mol
Monoisotopic Mass	326.318480578 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	259
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

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Isopropyl Isostearate

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