Skip to the beginning of the images gallery

4-Methoxy-2,3,6-trimethylbenzaldehyde - 98%, high purity , CAS No.54344-92-2

COA

Grade & Purity:

≥98%

Cas Number: 54344-92-2
Molecular Weight: 178.23
MDL number: MFCD00456729
PubChem CID: 824142
PubChem SID: 488191575

In stock

Item Number

M404687

Grouped product items
SKU	Size	Availability	Price
M404687-1g	1g	5	$146.90
M404687-5g	5g	5	$396.90
M404687-25g	25g	2	$1,389.90
M404687-100g	100g	1	$3,333.90

View related series

aldehyde (388) Carbonyl compound (2335)

Basic Description

Synonyms	STL371935 \| DS-12701 \| 2,3,6-Trimethyl-p-anisaldehyde \| BTOFIDLWQJCUJG-UHFFFAOYSA-N \| M3002 \| O11253 \| A830114 \| BB 0257558 \| 4-methoxy-2,3,6-trimethyl-benzaldehyde, AldrichCPR \| 2,3,6-trimethyl-4-anisaldehyde \| AC-8400 \| MFCD00456729 \| SCHEMBL4551009 \| U
Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Benzaldehyde - Anisole - Aryl-aldehyde - Alkyl aryl ether - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488191575
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191575
IUPAC Name	4-methoxy-2,3,6-trimethylbenzaldehyde
INCHI	InChI=1S/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3
InChIKey	BTOFIDLWQJCUJG-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1C=O)C)C)OC
Isomeric SMILES	CC1=CC(=C(C(=C1C=O)C)C)OC
Molecular Weight	178.23
Reaxy-Rn	2208634
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208634&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
D2324454	Certificate of Analysis	Mar 24, 2023	M404687
D2324451	Certificate of Analysis	Mar 24, 2023	M404687
D2324420	Certificate of Analysis	Mar 24, 2023	M404687
D2324428	Certificate of Analysis	Mar 24, 2023	M404687
D2324460	Certificate of Analysis	Mar 24, 2023	M404687
D2324421	Certificate of Analysis	Mar 24, 2023	M404687
D2324431	Certificate of Analysis	Mar 24, 2023	M404687
D2324457	Certificate of Analysis	Mar 24, 2023	M404687

Chemical and Physical Properties

Sensitivity	Air Sensitive,Heat Sensitive
Melt Point(°C)	66 °C
Molecular Weight	178.230 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	178.099 Da
Monoisotopic Mass	178.099 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration