CAS 38861-78-8

Chemistry, 1 End Use API, 23 Related Intermediates

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Also known as: 38861-78-8, 4-isobutylacetophenone, 1-(4-isobutylphenyl)ethanone, P-iso-butylacetophenone, 1-[4-(2-methylpropyl)phenyl]ethanone, P-isobutylacetophenone

Molecular Formula

C₁₂H₁₆O

Molecular Weight

176.25 g/mol

InChI Key

KEAGRYYGYWZVPC-UHFFFAOYSA-N

FDA UNII

AML715RD20

1 2D Structure

CAS 38861-78-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[4-(2-methylpropyl)phenyl]ethanone

2.1.2 InChI

InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3

2.1.3 InChI Key

KEAGRYYGYWZVPC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C

2.2 Other Identifiers

2.2.1 UNII

AML715RD20

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-isobutylacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 38861-78-8

2. 4-isobutylacetophenone

3. 1-(4-isobutylphenyl)ethanone

4. P-iso-butylacetophenone

5. 1-[4-(2-methylpropyl)phenyl]ethanone

6. P-isobutylacetophenone

7. Ethanone, 1-[4-(2-methylpropyl)phenyl]-

8. 1-[4-(2-methylpropyl)phenyl]ethan-1-one

9. 4'-(2-methylpropyl)acetophenone

10. Acetophenone, 4-isobutyl-

11. Mfcd00027393

12. Ibuprofen Related Compound C

13. Ethanone, 1-(4-(2-methylpropyl)phenyl)-

14. Aml715rd20

15. Nsc-173015

16. 1-(4-isobutylphenyl)ethan-1-one

17. 1-(4-(2-methylpropyl)phenyl)ethan-1-one

18. 1-(4-(2-methylpropyl)phenyl)ethanone

19. 1-acetyl-4-isobutylbenzene

20. Unii-aml715rd20

21. Einecs 254-159-8

22. Ibuprofen Impurity E

23. Nsc 173015

24. 4-iso-butylacetophenone

25. P-acetylisobutylbenzene

26. Schembl585471

27. Dtxsid6068147

28. 1-(4-isobutyl-phenyl)-ethanone

29. 1-(4-isobutylphenyl)ethanone #

30. 4\'-(2-methylpropyl)acetophenone

31. Str06927

32. Zinc1697860

33. Nsc173015

34. Stl194156

35. P-isobutylphenyl Methyl Ketone

36. Akos000120632

37. 4-(2-methylpropyl)acetophenone

38. Ps-4197

39. Ibuprofen Impurity E [ep Impurity]

40. Db-018599

41. I0417

42. En300-20906

43. Ibuprofen Related Compound C [usp-rs]

44. W-109224

45. Q27274010

46. F0001-1102

47. Z104484764

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₆O
Molecular Weight	176.25 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	17.1
Heavy Atom Count	13
Formal Charge	0
Complexity	164
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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IOL Chemicals and Pharmaceuticals

IOL Chemicals is an innovation-driven bulk drug, Intermediate and Specialty Chemicals company.

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4- Isobutylacetophenone

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CAS Number

38861-78-8

End Use API

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-dr...

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-driven company that specializes in bulk drugs, intermediates and specialty chemicals. As an API-based company, IOL Chemicals has substantial manufacturing capacities that provide economies of scale and cost advantages. It also has extensive expertise in specialty chemicals. IOL Chemicals’ API portfolio includes various therapeutic categories such as pain management, anti-diabetic, anti-hypertensive and anti-convulsant. IOL Chemicals is a backward-integrated company that produces all intermediates and key starting materials for ibuprofen.