1-Phenyldodecane - analytical standard, ≥99.5%(GC) , CAS No.123-01-3

CAS: 123-01-3 Cat. No.: P106336 分子式: C₁₈H₃₀ 分子量: 246.43 Beilstein Registry Number: 1909107 EC番号: 204-591-8

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

Dodecylbenzene | n-Dodecylbenzene | Laurylbenzene

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Dodecylbenzene | n-Dodecylbenzene | Laurylbenzene

仕様と純度

analytical standard, ≥99.5%(GC)

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99.5%(GC)

名前と識別子

• パブケム・シド: 528772314
• カノニカル・スマイル: CCCCCCCCCCCCC1=CC=CC=C1
• IUPAC Name: dodecylbenzene
• InChIKey: KWKXNDCHNDYVRT-UHFFFAOYSA-N
• INCHI: 1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3
• 異性体SMILES: CCCCCCCCCCCCC1=CC=CC=C1
• WGKドイツ: 3
• RTECS: CZ9540000
• 分子量: 246.43
• Beilstein: 1909107
• Reaxy-Rn: 1909107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1909107&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

化学的性質と物理的性質

• 屈折率: 1.481-1.483
• 引火点（°F）: 228.2 °F
• 引火点（°C）: 124℃
• 沸点（°C）: 288-300°C
• 融点（°C）: 3℃
• 分子量: 246.400 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 246.235 Da
• Monoisotopic Mass: 246.235 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 155.000
• 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

参考文献

1. Dong Cao, Shuai Wang, Xin Ma, Jia Yang, Hong Zhong.  (2023)  Selective Extraction of Cu (II) Using Novel C=O–NOH-Contained Compound-Dodecyl Phenyl Ethyl Hydroxamic Acid and Its Extraction Mechanism.  SOLVENT EXTRACTION AND ION EXCHANGE,      [PMID:] [10.1080/07366299.2023.2229888]

2. Yudai Liang, Xin Yuan, Lijuan Wang, Xuefeng Zhou, Xiaojun Ren, Yifan Huang, Mengying Zhang, Jinbo Wu, Weijia Wen.  (2020)  Highly stable and efficient electrorheological suspensions with hydrophobic interaction.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:31923826] [10.1016/j.jcis.2019.12.129]