2'-Hydroxyacetophenone - 10mM in DMSO , CAS No.118-93-4

CAS: 118-93-4 Cat. No.: H420837 분자식: C₈H₈O₂ 분자량: 136.15 Beilstein Registry Number: 386123 EC 번호: 204-288-0

GRADE & PURITY 10mM in DMSO

Synonyms

2-Acetylphenol | ACETOPHENONE,2-HYDROXY | CAS-118-93-4 | MFCD00002219 | 2,4-Cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9CI) | FT-0652315 | InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H | Ethanone, 1-(2-hydroxyphenyl)- | NSC9263 | NSC-9263 | PARAC

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Application

2тАЩ-Hydroxyacetophenone is a phenolic compound used in the synthesis of potential anti-myobacterial and anticancer agents.

Specifications

동의어

2-Acetylphenol | ACETOPHENONE,2-HYDROXY | CAS-118-93-4 | MFCD00002219 | 2,4-Cyclohexadien-1-one, 6-(1-hydroxyethylidene)- (9CI) | FT-0652315 | InChI=1/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H | Ethanone, 1-(2-hydroxyphenyl)- | NSC9263 | NSC-9263 | PARAC

사양 및 순도

10mM in DMSO

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528755021
• 정식 스마일: CC(=O)C1=CC=CC=C1O
• IUPAC Name: 1-(2-hydroxyphenyl)ethanone
• InChIKey: JECYUBVRTQDVAT-UHFFFAOYSA-N
• INCHI: 1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
• 이성체 SMILES: CC(=O)C1=CC=CC=C1O
• WGK 독일: 3
• RTECS: AM8575000
• 분자량: 136.15
• Beilstein: 386123
• Reaxy-Rn: 386123
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386123&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 Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - 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

관련 대상(인간)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 굴절률: 1.558
• 발화점(°F): 222.8 °F
• 발화점(°C): 106 °C
• 끓는점(°C): 213°C
• 녹는점(°C): 3-6°C
• 분자량: 136.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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

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2. Fanyong Yan, Zhonghui Sun, Jiping Pang, Yingxia Jiang, Wenxuan Zheng.  (2020)  Functionalized carbon dots of thiazole derivatives based on inner filter effect for tetracyclines detection.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2020.108673]

3. Yun-Shang Yang, Chun-Mei Ma, Ying-Peng Zhang, Qing-Hua Xue, Jia-Xi Ru, Xiao-Yu Liu, Hui-Chen Guo.  (2018)  A highly selective “turn-on” fluorescent sensor for zinc ion based on a cinnamyl pyrazoline derivative and its imaging in live cells.  Analytical Methods,  10  (16): (1833-1841).  [PMID:] [10.1039/C8AY00037A]

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5. Zhou Yan, Huang Wei, Chen Xiang-Shu, Song Zhi-Bin, Tao Duan-Jian.  (2015)  Facile One-Pot Synthesis of Flavanones Using Tetramethylguanidinum-Based Ionic Liquids as Catalysts.  CATALYSIS LETTERS,  145  (10): (1830-1836).  [PMID:] [10.1007/s10562-015-1581-9]

6. Yunhui Sun, Huihui Chen, Duxia Cao, Zhiqiang Liu, Hongyu Chen, Yunlong Deng, Qi Fang.  (2012)  Chalcone derivatives as fluorescence turn-on chemosensors for cyanide anions.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2012.06.012]

7. Shiyun Xiao, Zhouxin Peng, Yuchen Wu, Baojia Li, Hualan Zhou, Xuesong Wang, Shengkang Wang.  (2024)  Efficient hydrodeoxygenation of lignin-derived phenolics to cyclohexanol with N-doped alumina- carbide‐based RuCo catalysts derived from MOF under mild conditions.  BIOMASS & BIOENERGY,      [PMID:] [10.1016/j.biombioe.2024.107437]

8. Peng Zhou-Xin, Wu Yu-chen, Xiao Shi-Yun, Zhou Hua-Lan, Wang Sheng-Kang, Wang Xue-Song.  (2025)  Selective Upgrading of Biomass-Derived Carbonyl Compounds by Nickel-Base Catalyst in Isopropanol.  CATALYSIS LETTERS,  155  (9): (1-12).  [PMID:] [10.1007/s10562-025-05144-z]

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