2',6'-Dimethoxyacetophenone - ≥98%(GC) , CAS No.2040-04-2

CAS: 2040-04-2 Cat. No.: D154242 Molecular Weight: 180.2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
BS-3973 | 2,6-Dimethoxy Acetophenone | 2?,6?-Dimethoxyacetophenone | SY048723 | EINECS 218-034-1 | FT-0633988 | 4-08-00-01811 (Beilstein Handbook Reference) | 1-(2,6-Dimethoxyphenyl)ethanone # | A1-00326 | AB-131/40897142 | A920746 | CHEBI:167429 | W-1076
Storage
Room temperature
Shipped In
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1g
D154242-1g
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5g
D154242-5g
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25g
D154242-25g
2

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100g
D154242-100g
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2,6-Dihydroxyacetophenone, its mono- and di-methyl ethers are inhibitors of hepatic mixed function oxidases. Metabolism of 2′,6′-dimethoxyacetophenone was studied.

Specifications

Synonyms
BS-3973 | 2, 6-Dimethoxy Acetophenone | 2?, 6?-Dimethoxyacetophenone | SY048723 | EINECS 218-034-1 | FT-0633988 | 4-08-00-01811 (Beilstein Handbook Reference) | 1-(2, 6-Dimethoxyphenyl)ethanone # | A1-00326 | AB-131/40897142 | A920746 | CHEBI:167429 | W-1076
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid504752742
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752742
Canonical SmilesCC(=O)C1=C(C=CC=C1OC)OC
IUPAC Name1-(2,6-dimethoxyphenyl)ethanone
InChIKeyXEUGKOFTNAYMMX-UHFFFAOYSA-N
INCHI1S/C10H12O3/c1-7(11)10-8(12-2)5-4-6-9(10)13-3/h4-6H,1-3H3
Isomeric SMILES CC(=O)C1=C(C=CC=C1OC)OC
Molecular Weight 180.2
Reaxy-Rn 2048976
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048976&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Dimethoxybenzenes  Acetophenones  Phenoxy compounds  Benzoyl derivatives  Aryl alkyl ketones  Anisoles  Alkyl aryl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - M-dimethoxybenzene - Dimethoxybenzene - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Mechanisms of Action
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.

5 results found

Lot NumberCertificate TypeDateItem
B2602025Certificate of AnalysisFeb 10, 2026 D154242
J1925037Certificate of AnalysisAug 04, 2023 D154242
F2326074Certificate of AnalysisJul 07, 2023 D154242
F2326080Certificate of AnalysisDec 08, 2022 D154242
L2205719Certificate of AnalysisDec 08, 2022 D154242
Chemical and Physical Properties
SolubilitySoluble in Methanol
Boil Point(°C)136°C/2mmHg
Melt Point(°C)68-70 °C
Molecular Weight180.200 g/mol
XLogP31.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.079 Da
Monoisotopic Mass180.079 Da
Topological Polar Surface Area35.500 Ų
Heavy Atom Count13
Formal Charge0
Complexity167.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Bin Pu, Gaolang Xiao, Juying Xiao, Hua-Bing Yin, Jin Wang.  (2024)  A strategy for improving self-healing efficiency: Application of sensitizer in thymine photoresponsive materials.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.126844]
Solution Calculators
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