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

CAS: 123-01-3 Cat. No.: P106336 분자식: C₁₈H₃₀ 분자량: 246.43 Beilstein Registry Number: 1909107 EC 번호: 204-591-8

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

Synonyms

Dodecylbenzene | n-Dodecylbenzene | Laurylbenzene

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Dodecylbenzene | n-Dodecylbenzene | Laurylbenzene

사양 및 순도

analytical standard, ≥99.5%(GC)

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

순수함

≥99.5%(GC)

이름과 식별자

• Pubchem Sid: 528772314
• 정식 스마일: 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
• 이성체 SMILES: CCCCCCCCCCCCC1=CC=CC=C1
• WGK 독일: 3
• RTECS: CZ9540000
• 분자량: 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
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.481-1.483
• 발화점(°F): 228.2 °F
• 발화점(°C): 124℃
• 끓는점(°C): 288-300°C
• 녹는점(°C): 3℃
• 분자량: 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

참고 문헌

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]