3′-Methoxyacetophenone - ≥98% , CAS No.586-37-8

CAS: 586-37-8 Cat. No.: M108015 분자식: C₉H₁₀O₂ 분자량: 150.17 Beilstein Registry Number: 8,86 EC 번호: 209-573-3

GRADE & PURITY ≥98%

Synonyms

3'-Methoxyacetophenone | 3-Methoxyacetophenone | m-Methoxyacetophenone | 3-Acetoanisole | 3-Acetylanisole | 1-(3-Methoxyphenyl)ethan-1-one

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

3'-Methoxyacetophenone | 3-Methoxyacetophenone | m-Methoxyacetophenone | 3-Acetoanisole | 3-Acetylanisole | 1-(3-Methoxyphenyl)ethan-1-one

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488181347
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181347
• 정식 스마일: CC(=O)C1=CC(=CC=C1)OC
• IUPAC Name: 1-(3-methoxyphenyl)ethanone
• InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
• 이성체 SMILES: CC(=O)C1=CC(=CC=C1)OC
• WGK 독일: 3
• 분자량: 150.17
• Beilstein: 8,86
• Reaxy-Rn: 878552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Benzoyl - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

화학 및 물리적 특성

• 용해성: Fully miscible in water. Soluble in alcohol.
• 감도: Light sensitive.
• 굴절률: 1.542
• 발화점(°F): 230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 239-241°C
• 녹는점(°C): -7℃
• 분자량: 150.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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. Nian Wang, Die Zhou, Huaying Liu, Yina Tu, Yanqiong Ma, Yingjie Li.  (2023)  Triplet-Excited Dissolved Organic Matter Efficiently Promoted Atmospheric Sulfate Production: Kinetics and Mechanisms.  Separations,  10  (6): (335).  [PMID:] [10.3390/separations10060335]

2. Yixin Huang, Yihui Zhang, Mengzhe Zhao, Shuwen Yan, Daqiang Yin, Weihua Song.  (2025)  Solar-Induced Phototransformation of Peracetic Acid in Chromophoric Dissolved Organic Matter Solutions.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:40313032] [10.1021/acs.est.5c00903]