2,6-Dimethoxy-4-methylphenol - ≥97%(GC) , CAS No.6638-05-7

CAS: 6638-05-7 Cat. No.: D155325 分子式: C₉H₁₂O₃ 分子量: 168.19 EC番号: 229-641-6

GRADE & PURITY ≥97%(GC)

Synonyms

4-Methyl-2,6-dimethoxyphenol | Q27278026 | 1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid; hydrochloride | 2,6-Dimethoxy-4-methylphenol | 2,6-dimethoxy-4-methyl-phenol | AS-17263 | CGA-184927 | EINECS 229-641-6 | A840209 | DTXSID10216599 | W-104

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

4-Methyl-2,6-dimethoxyphenol | Q27278026 | 1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid; hydrochloride | 2,6-Dimethoxy-4-methylphenol | 2,6-dimethoxy-4-methyl-phenol | AS-17263 | CGA-184927 | EINECS 229-641-6 | A840209 | DTXSID10216599 | W-104

仕様と純度

≥97%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%(GC)

名前と識別子

• パブケム・シド: 504758045
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504758045
• カノニカル・スマイル: CC1=CC(=C(C(=C1)OC)O)OC
• IUPAC Name: 2,6-dimethoxy-4-methylphenol
• InChIKey: ZFBNNSOJNZBLLS-UHFFFAOYSA-N
• INCHI: 1S/C9H12O3/c1-6-4-7(11-2)9(10)8(5-6)12-3/h4-5,10H,1-3H3
• 異性体SMILES: CC1=CC(=C(C(=C1)OC)O)OC
• 分子量: 168.19
• Reaxy-Rn: 1947612
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947612&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 Para cresols Anisoles Toluenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - P-cresol - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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

関連ターゲット（非人間）

Pseudomonas aeruginosa (123386 Activities)

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

Acinetobacter baumannii (41033 Activities)

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

L1210 (27553 Activities)

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water.
• 感度: Air Sensitive
• 引火点（°F）: 230°F
• 引火点（°C）: >110°C
• 沸点（°C）: 150 °C/15 mmHg
• 融点（°C）: 42 °C
• 分子量: 168.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.079 Da
• Monoisotopic Mass: 168.079 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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. Jiubing Zhang, Yuanyuan Ge, Songyuan Xiong, Zhili Li.  (2021)  Catalytic depolymerization of lignin into monophenols over an amorphous mesoporous geopolymer monolith.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2021.130115]

2. Zong-Pin Fu, Qi-Jie Zhou, Yun-Peng Zhao, Yu-Fa Wu, Fang-Jing Liu, Mei Zhong, Jian Li, Jing Liang, Jing-Pei Cao.  (2025)  Selective hydrodeoxygenation of guaiacol and bio-oil to cycloalkanes over Ni-based catalysts supported on altered Hβ zeolite.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2025.114932]