4-Methylanisole - ≥99% , CAS No.104-93-8

CAS: 104-93-8 Cat. No.: M106728 분자식: C₈H₁₀O 분자량: 122.16 Beilstein Registry Number: 1237336 EC 번호: 203-253-7

GRADE & PURITY ≥99%

Synonyms

4-Methyl-1-methoxybenzene | FEMA No. 2681 | NSC 6254 | Methyl 4-methylphenyl ether | 10FAI0OR9W | 4-Methyl anisole | para-Cresyl methyl ether | 4-Methylphenol methyl ether | 4-Methylanisole | Toluene, 4-methoxy- | WLN: 1OR D1 | EINECS 203-253-7 | 4-Methox

Storage

Room temperature

Shipped In

Normal

개요

Usually used to prepare 5-methoxy-1,8-dimethyltetralin,and also used as the solubilizate molecule to study the site of incorporation of solubilizates in sodium dodecyl sulfate (SDS) micellar systems.

Specifications

동의어

4-Methyl-1-methoxybenzene | FEMA No. 2681 | NSC 6254 | Methyl 4-methylphenyl ether | 10FAI0OR9W | 4-Methyl anisole | para-Cresyl methyl ether | 4-Methylphenol methyl ether | 4-Methylanisole | Toluene, 4-methoxy- | WLN: 1OR D1 | EINECS 203-253-7 | 4-Methox

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

• Pubchem Sid: 488180544
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180544
• 정식 스마일: CC1=CC=C(C=C1)OC
• IUPAC Name: 1-methoxy-4-methylbenzene
• InChIKey: CHLICZRVGGXEOD-UHFFFAOYSA-N
• INCHI: 1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
• 이성체 SMILES: CC1=CC=C(C=C1)OC
• WGK 독일: 3
• RTECS: BZ8780000
• UN 번호: 1993
• 포장 그룹: III
• 분자량: 122.16
• Beilstein: 1237336
• Reaxy-Rn: 1237336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Toluenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Toluene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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(인간)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.51-1.513
• 발화점(°F): 138.2 °F
• 발화점(°C): 53℃
• 끓는점(°C): 175°C
• 녹는점(°C): -50 °C
• 분자량: 122.160 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.073 Da
• Monoisotopic Mass: 122.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.600
• 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. Jie Deng, Wanying Lei, Junwei Fu, Huile Jin, Quanlong Xu, Shun Wang.  (2022)  Enhanced Selective Photooxidation of Toluene to Benzaldehyde over Co3O4-Modified BiOBr/AgBr S-Scheme Heterojunction.  Solar RRL,  6  (8): (2200279).  [PMID:] [10.1002/solr.202200279]

2. Zhang Xiaofang, Wang Liuyang, Liu Chunqin, Liu Yongqiang, Mei Xiangdong, Wang Zhongyue, Zhang Tao.  (2021)  Identification and field verification of an aggregation pheromone from the white-spotted flower chafer, Protaetia brevitarsis Lewis (Coleoptera: Scarabaeidae).  Scientific Reports,  11  (1): (1-10).  [PMID:34785739] [10.1038/s41598-021-01887-y]

3. 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]