2,3-Dimethoxyphenol - ≥98% , CAS No.5150-42-5

CAS: 5150-42-5 Cat. No.: D473372 分子式: (CH₃O)₂C₆H₃OH 分子量: 154.16 Beilstein Registry Number: 1910050 EC番号: 225-922-2

GRADE & PURITY ≥98%

Synonyms

FT-0609683 | QSZCGGBDNYTQHH-UHFFFAOYSA-N | NSC 80659 | SY061558 | CHEBI:193967 | DTXSID10179832 | UNII-OW147I6C84 | 1-(phenanthren-2-yl)ethan-1-one | OW147I6C84 | 2,3-dim ethoxyphenol | Phenol, 2,3-dimethoxy- | NSC80659 | NSC-80659 | AKOS015888213 | 2,3-D

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

Description

2,3-Dimethoxyphenol is a plant-derived phenylpropanoid compound that is glycosidated to form glycoside compound.2,3-Dimethoxyphenol has been used to study the nitrosative deamination of DNA bases induced by reactive nitrogen species (RNS) while studying the cause of mutagenesis.

Specifications

同義語

FT-0609683 | QSZCGGBDNYTQHH-UHFFFAOYSA-N | NSC 80659 | SY061558 | CHEBI:193967 | DTXSID10179832 | UNII-OW147I6C84 | 1-(phenanthren-2-yl)ethan-1-one | OW147I6C84 | 2,3-dim ethoxyphenol | Phenol, 2,3-dimethoxy- | NSC80659 | NSC-80659 | AKOS015888213 | 2,3-D

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488185626
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488185626
• カノニカル・スマイル: COC1=CC=CC(=C1OC)O
• IUPAC Name: 2,3-dimethoxyphenol
• InChIKey: QSZCGGBDNYTQHH-UHFFFAOYSA-N
• INCHI: 1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3
• 異性体SMILES: COC1=CC=CC(=C1OC)O
• WGKドイツ: 3
• 分子量: 154.16
• Beilstein: 1910050
• Reaxy-Rn: 1910045
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910045&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 屈折率: n20/D 1.539 (lit.)
• 引火点（°F）: 228.2 °F
• 引火点（°C）: 109 °C
• 沸点（°C）: 233-234 °C (lit.)
• 分子量: 154.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.063 Da
• Monoisotopic Mass: 154.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 116.000
• 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

参考文献

1. Haoquan Guo, Xinyu Lu, Yue Yang, Jinhe Wei, Lizhi Wu, Li Tan, Yu Tang, Xiaoli Gu.  (2023)  Harvesting alkyl phenols from lignin monomers via selective hydrodeoxygenation under ambient pressure on Pd/α-MoC catalysts.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2023.113041]

2. Haoquan Guo, Jiwu Zhao, Yu Chen, Xinyu Lu, Yue Yang, Chenrong Ding, Lizhi Wu, Li Tan, Jinlin Long, Guohui Yang, Yu Tang, Noritatsu Tsubaki, Xiaoli Gu.  (2024)  Mechanistic Insights into Hydrodeoxygenation of Lignin Derivatives over Ni Single Atoms Supported on Mo2C.  ACS Catalysis,      [PMID:] [10.1021/acscatal.3c04555]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5150-42-5, the molecular formula is (CH3O)2C6H3OH, and the molecular weight is 154.16 g/mol. InChIKey QSZCGGBDNYTQHH-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.