CAS 2987-16-8

Chemistry, 1 End Use API, 1 Related Intermediates

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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

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 Formula	C₆H₁₂O
Molecular Weight	100.16 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	100.088815002 g/mol
Monoisotopic Mass	100.088815002 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	59.1
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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3,3-dimethylbutyraldehyde

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CAS Number

2987-16-8

End Use API

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Green Stone Swiss Co ., ltd.is a high-tech enterprise of pharmaceuticals and health ingredients, and prov...

Green Stone Swiss Co ., ltd.is a high-tech enterprise of pharmaceuticals and health ingredients, and provide customized products/OEM/ODM. We signed technical cooperation agreements with 7 Universities of Europe, USA and China, equipped with a set of advanced production and testing equipment to ensure product quality. Our manufactures Factory has first-class production equipment and strict quality management system, which covers an area of 6000 square meters, packing workshop covers 1800 square meters, laboratory covers 260 square meters, building area of 1600 square meters.

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