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

등급 & 순도 ≥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

사양

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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Acinetobacter baumannii (41033 Activities)

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L1210 (27553 Activities)

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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