CAS 2233-18-3

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Also known as: 2233-18-3, 4-hydroxy-3,5-dimethylbenzaldehyde, Benzaldehyde, 4-hydroxy-3,5-dimethyl-, 4-formyl-2,6-xylenol, 4-hydroxy-3,5-dimethyl-benzaldehyde, 23pa2pmp9f

Molecular Formula

C₉H₁₀O₂

Molecular Weight

150.17 g/mol

InChI Key

UYGBSRJODQHNLQ-UHFFFAOYSA-N

FDA UNII

23PA2PMP9F

3,5-Dimethyl-4-hydroxybenzaldehyde is a natural product found in Linaria vulgaris with data available.

1 2D Structure

CAS 2233-18-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-3,5-dimethylbenzaldehyde

2.1.2 InChI

InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3

2.1.3 InChI Key

UYGBSRJODQHNLQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=CC(=C1O)C)C=O

2.2 Other Identifiers

2.2.1 UNII

23PA2PMP9F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-hydroxy-3,5-dimethylbenzaldehyde

2. Dmhb-3,5

2.3.2 Depositor-Supplied Synonyms

1. 2233-18-3

2. 4-hydroxy-3,5-dimethylbenzaldehyde

3. Benzaldehyde, 4-hydroxy-3,5-dimethyl-

4. 4-formyl-2,6-xylenol

5. 4-hydroxy-3,5-dimethyl-benzaldehyde

6. 23pa2pmp9f

7. Mfcd00006946

8. Nsc-128405

9. 3,5-dimethyl-4-hydorxybenzaldehyde

10. Einecs 218-774-5

11. Nsc 128405

12. Benzaldehyde,5-dimethyl-

13. Unii-23pa2pmp9f

14. 4-formyl-2,6-dimethylphenol

15. Schembl143965

16. Dtxsid8062282

17. 3,5-dimethyl-4-hydroxybenzaidehyde

18. Bcp20234

19. 3,5 -dimethyl-4-hydroxybenzaldehyde

20. 3,5-dimethyl-4-hydroxy Benzaldehyde

21. 3,5-dimethyl-4-hydroxy-benzaldehyde

22. 4-hydroxy 3,5-dimethyl Benzaldehyde

23. 4-hydroxy-3, 5-dimethylbenzaldehyde

24. 4-hydroxy-3,5-dimethyl Benzaldehyde

25. Nsc128405

26. 4-hydroxy-3, 5-dimethyl Benzaldehyde

27. Akos000104166

28. Cs-w007807

29. Hy-w007807

30. Ps-4139

31. Ncgc00335010-01

32. Bp-22343

33. Sy001837

34. 4-hydroxy-3,5-dimethylbenzaldehyde, 95%

35. Am20060554

36. Bb 0243140

37. Ft-0614670

38. H1023

39. En300-17665

40. Ab01105446-03

41. A816115

42. J-650153

43. W-107484

44. Z56978032

45. 2,5-dihydroxy-3-methyl-6-nonyl-1,4-benzoquinone;3,5-dimethyl-4-hydroxybenzaldehyde

46. Inchi=1/c9h10o2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11h,1-2h

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₂
Molecular Weight	150.17 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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