2'-Hydroxyacetophenone - ≥99% , CAS No.118-93-4

CAS: 118-93-4 Cat. No.: H106327 Peso molecular: 136.15 Beilstein Registry Number: 386123 Número EC: 204-288-0

GRADE & PURITY ≥99%

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,Room temperature

Shipped In

Normal

Descripción general

Application

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180771
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=O)C1=CC=CC=C1O
• WGK Alemania: 3
• RTECS: AM8575000
• Peso molecular: 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
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform, Methanol (Slightly)
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.558
• Punto de inflamación (°F): 222.8 °F
• Punto de inflamación (°C): 106 °C
• Punto de ebullición (°C): 213°C
• Punto de fusión (°C): 3-6°C
• Peso molecular: 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

Referencias

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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]

4. Peisheng Zhang, Xiao-fang Jiang, Xuezheng Nie, Yong Huang, Fang Zeng, Xitao Xia, Shuizhu Wu.  (2015)  A two-photon fluorescent sensor revealing drug-induced liver injury via tracking γ-glutamyltranspeptidase (GGT) level in vivo.  BIOMATERIALS,      [PMID:26706475] [10.1016/j.biomaterials.2015.11.047]

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]

9. Shiyun Xiao, Yuchen Wu, Xue Luo, Tianrun Hu, Zeyu Deng, Shaoyuan Guo, Hualan Zhou, Shengkang Wang, Xuesong Wang.  (2025)  Efficient catalysis of hydrodeoxygenation of lignin derivatives in aqueous phase using CoNi supported on defect MOF catalysts.  FUEL,      [PMID:] [10.1016/j.fuel.2025.136361]