3',4'-Dimethoxyacetophenone - ≥98%(GC) , CAS No.1131-62-0

CAS: 1131-62-0 Cat. No.: D154231 Formula: C₁₀H₁₂O₃ Molecular Weight: 180.2 Beilstein Registry Number: 781213 EC Number: 214-468-0

GRADE & PURITY ≥98%(GC)

Synonyms

3',4'-Dimethoxyacetophenone, >=98% | 4'-Hydroxy-3'-methoxyacetophenone, methyl ether | AI3-11163 | AQ-917/40710349 | 3,4-Dimethoxyphenyl methyl ketone | GF-0115 | 3,4-dimethoxy acetophenone | Acetophenone, 3',4'-dimethoxy- | D1878 | SY015105 | 3',4'-Dimet

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Product Application：

3',4'-Dimethoxyacetophenone is used as Catalytic agent; Petrochemical additive. It is also used in agrochemical, pharmaceutical and dyestuff field.

Specifications

Synonyms

3',4'-Dimethoxyacetophenone, >=98% | 4'-Hydroxy-3'-methoxyacetophenone, methyl ether | AI3-11163 | AQ-917/40710349 | 3,4-Dimethoxyphenyl methyl ketone | GF-0115 | 3,4-dimethoxy acetophenone | Acetophenone, 3',4'-dimethoxy- | D1878 | SY015105 | 3',4'-Dimet

Specifications & Purity

≥98%(GC)

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

504752552

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752552

Canonical Smiles

CC(=O)C1=CC(=C(C=C1)OC)OC

IUPAC Name

1-(3,4-dimethoxyphenyl)ethanone

InChIKey

IQZLUWLMQNGTIW-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)OC

WGK Germany

3

Molecular Weight

180.2

Beilstein

781213

Reaxy-Rn

781213

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=781213&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Dimethoxybenzenes Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - O-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
• Description: This 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: dimethoxybenzene - acetophenones

Data sources

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

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol. Insoluble in water
• Sensitivity: light sensitive
• x_flash_point_drop_fahrenheit: >235.4 °F
• x_flash_point_drop_centigrade: >113 °C
• x_boil_point_char: 286-288 °C
• x_melt_point_char: 47-54°C
• Molecular Weight: 180.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 35.500 Ų
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1131-62-0, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey IQZLUWLMQNGTIW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.