CAS 2987-16-8 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 3,3-dimethylbutanal, 2987-16-8, 3,3-dimethyl-butyraldehyde, Butanal, 3,3-dimethyl-, Tert-butylacetaldehyde, 3,3dimethylbutyaldehyde
Molecular Formula
C6H12O
Molecular Weight
100.16  g/mol
InChI Key
LTNUSYNQZJZUSY-UHFFFAOYSA-N
FDA UNII
CAM6HD7JKI

CAS 2987-16-8
1 2D Structure

CAS 2987-16-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,3-dimethylbutanal
2.1.2 InChI
InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
2.1.3 InChI Key
LTNUSYNQZJZUSY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)CC=O
2.2 Other Identifiers
2.2.1 UNII
CAM6HD7JKI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3,3-dimethylbutanal

2. 2987-16-8

3. 3,3-dimethyl-butyraldehyde

4. Butanal, 3,3-dimethyl-

5. Tert-butylacetaldehyde

6. 3,3dimethylbutyaldehyde

7. Cam6hd7jki

8. 3,3-dimethyl-butyraldehyde,97+%

9. 3,3-dimethyl-butanal

10. Unii-cam6hd7jki

11. Einecs 221-054-3

12. Neohexal

13. Butyraldehyde, 3,3-dimethyl-

14. 3,3-dimethylbutyraldehyd

15. 3,3-dimethylbutan-1-one

16. Schembl21884

17. 3-methyl-isovaleraldehyde

18. Dtxsid60183984

19. 3,3-dimethylbutyraldehyde, 95%

20. Zinc2584398

21. Mfcd00042807

22. Akos009157149

23. As-11404

24. Bp-11297

25. Db-005259

26. Am20090398

27. D4098

28. Ft-0601971

29. En300-66394

30. 987d168

31. A820087

32. 3,3-dimethylbutyraldehyde, Purum, >=95.0% (gc)

33. Q-100380

34. Q18130802

35. F2191-0024

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 100.16 g/mol
Molecular Formula C6H12O
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass100.088815002 g/mol
Monoisotopic Mass100.088815002 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity59.1
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

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty