EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 54344-92-2, 4-methoxy-2,3,6-trimethyl-benzaldehyde, 2,3,6-trimethyl-p-anisaldehyde, Benzaldehyde, 4-methoxy-2,3,6-trimethyl-, Xa09sr3ji3, Unii-xa09sr3ji3

Molecular Formula

C₁₁H₁₄O₂

Molecular Weight

178.23 g/mol

InChI Key

BTOFIDLWQJCUJG-UHFFFAOYSA-N

FDA UNII

XA09SR3JI3

1 2D Structure

4-Methoxy-2 3 6-Trimethylbenzaldehyde

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methoxy-2,3,6-trimethylbenzaldehyde

2.1.2 InChI

InChI=1S/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3

2.1.3 InChI Key

BTOFIDLWQJCUJG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C(=C1C=O)C)C)OC

2.2 Other Identifiers

2.2.1 UNII

XA09SR3JI3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 54344-92-2

2. 4-methoxy-2,3,6-trimethyl-benzaldehyde

3. 2,3,6-trimethyl-p-anisaldehyde

4. Benzaldehyde, 4-methoxy-2,3,6-trimethyl-

5. Xa09sr3ji3

6. Unii-xa09sr3ji3

7. Einecs 259-117-2

8. Schembl4551009

9. 2,3,6-trimethyl-4-anisaldehyde

10. Amy7368

11. Dtxsid80202722

12. Zinc342519

13. Bbl025821

14. Mfcd00456729

15. Stl371935

16. Akos000112602

17. Ac-8400

18. Ds-12701

19. Db-071826

20. Bb 0257558

21. Cs-0153492

22. Ft-0648266

23. Ft-0671383

24. M3002

25. O11253

26. 344m922

27. A830114

28. 4-methoxy-2,3,6-trimethyl-benzaldehyde, Aldrichcpr

29. Q27293746

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄O₂
Molecular Weight	178.23 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	178.099379685 g/mol
Monoisotopic Mass	178.099379685 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
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