2'-Acetonaphthone - ≥98% , CAS No.93-08-3

CAS: 93-08-3 Cat. No.: A151496 Fórmula: C₁₂H₁₀O Peso molecular: 170.21 Beilstein Registry Number: 7(4)1294 Número CE: 202-216-2

GRADE & PURITY ≥98%

Synonyms

.beta.-Acetylnaphthalene | 1-(naphthalen-2-yl)ethanone | beta -naphthyl methyl ketone | beta-Acetonaphthone | .beta.-Naphthyl methyl ketone | Methyl beta-naphthyl ketone, >=99%, FCC, FG | Cetone D | STK370453 | .beta.-Acetonaphthalene | 2-Naphthyl methyl

Storage

Room temperature

Shipped In

Normal

Visão geral

Usually used in direct time-resolved studies on singlet molecular oxygen phosphorescence in heterogeneous silica gel/cyclohexane systems.

Specifications

Sinónimos

.beta.-Acetylnaphthalene | 1-(naphthalen-2-yl)ethanone | beta -naphthyl methyl ketone | beta-Acetonaphthone | .beta.-Naphthyl methyl ketone | Methyl beta-naphthyl ketone, >=99%, FCC, FG | Cetone D | STK370453 | .beta.-Acetonaphthalene | 2-Naphthyl methyl

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488180304
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180304
• Sorrisos canónicos: CC(=O)C1=CC2=CC=CC=C2C=C1
• IUPAC Name: 1-naphthalen-2-ylethanone
• InChIKey: XSAYZAUNJMRRIR-UHFFFAOYSA-N
• INCHI: 1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3
• SMILES isoméricas: CC(=O)C1=CC2=CC=CC=C2C=C1
• RTECS: AL2988000
• Peso molecular: 170.21
• Beilstein: 7(4)1294
• Reaxy-Rn: 774965
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774965&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: naphthyl ketone

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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol, acetone and ether. Insoluble in water.
• Ponto de ebulição (°C): 301 °C
• Ponto de fusão (°C): 54 °C
• Peso molecular: 170.210 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073 Da
• Monoisotopic Mass: 170.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 197.000
• 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

Referências

1. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing.  (2021)  Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds.  Nature Communications,  12  (1): (1-12).  [PMID:34376654] [10.1038/s41467-021-25118-0]

2. Liyun Huang, Kui Wu, Qian He, Chao Xiong, Tao Gan, Xiaohui He, Hongbing Ji.  (2021)  Quasi-continuous synthesis of iron single atom catalysts via a microcapsule pyrolysis strategy.  AICHE JOURNAL,  67  (6): (e17197).  [PMID:] [10.1002/aic.17197]

3. Yumei Shu, Jinxiu Hu, Lin Yang, Tehreem yaqub, Minhua Ai, Yang Liu, Dandan Shi, Kang Xue, Chengxiang Shi, Xiangwen Zhang, Ji-Jun Zou, Lun Pan.  (2025)  Synthesis of liquid caged hydrocarbon fuel by intramolecular [2+2] photocycloaddition for advanced propulsion.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2025.07.013]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 93-08-3, the molecular formula is C12H10O, and the molecular weight is 170.21 g/mol. InChIKey XSAYZAUNJMRRIR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.