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

CAS: 6638-05-7 Cat. No.: D155325 분자식: C₉H₁₂O₃ 분자량: 168.19 EC 번호: 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

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

Specifications

동의어

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

사양 및 순도

≥97%(GC)

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥97%(GC)

이름과 식별자

• Pubchem Sid: 504758045
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758045
• 정식 스마일: 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
• 이성체 SMILES: CC1=CC(=C(C(=C1)OC)O)OC
• 분자량: 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
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water.
• 감도: Air Sensitive
• 발화점(°F): 230°F
• 발화점(°C): >110°C
• 끓는점(°C): 150 °C/15 mmHg
• 녹는점(°C): 42 °C
• 분자량: 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

참고 문헌

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]