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Also known as: N-octylbenzene, 1-phenyloctane, 2189-60-8, Benzene, octyl-, Phenyloctane, Octane, 1-phenyl-
Molecular Formula
C14H22
Molecular Weight
190.32  g/mol
InChI Key
CDKDZKXSXLNROY-UHFFFAOYSA-N
FDA UNII
P5EAX722SI

CAS	2189-60-8
1 2D Structure

CAS	2189-60-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
octylbenzene
2.1.2 InChI
InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
2.1.3 InChI Key
CDKDZKXSXLNROY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCC1=CC=CC=C1
2.2 Other Identifiers
2.2.1 UNII
P5EAX722SI
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N-octylbenzene

2.3.2 Depositor-Supplied Synonyms

1. N-octylbenzene

2. 1-phenyloctane

3. 2189-60-8

4. Benzene, Octyl-

5. Phenyloctane

6. Octane, 1-phenyl-

7. Octyl Benzene

8. Octyl-benzene

9. P5eax722si

10. Nsc-404115

11. 1-octylbenzene

12. Octylbenzol

13. 4-octylbenzene

14. Mfcd00009564

15. 1-phenyloctane, 98%

16. Unii-p5eax722si

17. Amy779

18. Dtxsid2062240

19. Bcp27130

20. Zinc1596324

21. Einecs 218-582-1

22. Nsc404115

23. Akos009097321

24. Nsc 404115

25. As-56414

26. 1-phenyloctane, Purum, >=98.0% (gc)

27. Ai3-16044

28. Db-019331

29. Cs-0152266

30. Ft-0634108

31. O0046

32. Q63392288

33. F0001-0776

34. Z1954804851

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 190.32 g/mol
Molecular Formula C14H22
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass190.172150702 g/mol
Monoisotopic Mass190.172150702 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity111
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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01

BIO Asia-Taiwan
Not Confirmed
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BIO Asia-Taiwan
Not Confirmed

1 Phenyl Octane

CAS Number : 2189-60-8

End Use API :

About the Company : Established in Gujarat (India), we, Niranjan Chemicals have grown into a well-established manufacturer and supplier of Drugs Intermediates. Each passing year, we are growing into a bett...

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