Heneicosane - analytical standard, ≥99.5%(GC) , CAS No.629-94-7

CAS: 629-94-7 Cat. No.: H108916 分子式: C₂₁H₄₄ 分子量: 296.57 Beilstein Registry Number: 1748500 EC番号: 211-118-9

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

Synonyms

HY-W089845 | n-Heneicosane | Henicosane | H0367 | I93S5U5DMP | CHEBI:32931 | UNII-I93S5U5DMP | Heneicosane, analytical standard | Q150955 | DTXSID9047097 | (S)-(-)-2,2'-Bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl (R)-H8-BINAP | DT

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

同義語

HY-W089845 | n-Heneicosane | Henicosane | H0367 | I93S5U5DMP | CHEBI:32931 | UNII-I93S5U5DMP | Heneicosane, analytical standard | Q150955 | DTXSID9047097 | (S)-(-)-2,2'-Bis(diphenylphosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl (R)-H8-BINAP | DT

仕様と純度

analytical standard, ≥99.5%(GC)

保管条件

Room temperature,Desiccated

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: 508812080
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/508812080
• カノニカル・スマイル: CCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: henicosane
• InChIKey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N
• INCHI: 1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
• 異性体SMILES: CCCCCCCCCCCCCCCCCCCCC
• WGKドイツ: 3
• 分子量: 296.57
• Beilstein: 1748500
• Reaxy-Rn: 1748500
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748500&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: an alkane

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

• 溶解度: Soluble in Benzene
• 引火点（°F）: 113 °C
• 引火点（°C）: 113°C
• 沸点（°C）: 100°C
• 融点（°C）: 39-41°C
• 分子量: 296.600 g/mol
• XLogP3: 11.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 296.344 Da
• Monoisotopic Mass: 296.344 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 143.000
• 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. Lina Pan, Wenfang Gao, Xinyu Liu, Dongyu Qin, Tiantian Zhang, Rui Ren, Weiyi Zhang, Meidi Sun, Cuiqing Gao, Penghua Bai, Wei You, Gengping Zhu, Min Li.  (2023)  Parasitoids as taxonomists: how does the parasitoid Chouioia cunea distinguish between a host and a non-host?.  PEST MANAGEMENT SCIENCE,  79  (11): (4547-4556).  [PMID:37427488] [10.1002/ps.7656]

2. Jinhao Zhao, Minmin Liang, Zhongyan Wang, Yanyan Zhao, Jingli Cheng, Yongjun Du.  (2022)  Evaluation and optimization of blends for attracting Trichogramma dendrolimi based on semiochemicals mediating tritrophic interactions in the orchard habitat.  BIOLOGICAL CONTROL,      [PMID:] [10.1016/j.biocontrol.2022.104998]

3. Yuanyuan Yuan, Baohui Li, Keqing Zhang, Hongtao Zhu.  (2025)  A Novel Gully-like Surface of Stainless-Steel Fiber Coated with COF-TPB-DMTP Nanoparticles for Solid-Phase Microextraction of Phthalic Acid Esters in Bottled Tea Beverages.  Nanomaterials,  15  (5): (385).  [PMID:40072188] [10.3390/nano15050385]

4. Lina Pan, Wenfang Gao, Zhiqin Song, Xiaoyu Li, Yipeng Wei, Guangyan Qin, Yiping Hu, Zeyang Sun, Cuiqing Gao, Penghua Bai, Gengping Zhu, Wenjie Wang, Min Li.  (2025)  Fall Webworm Host Plant Preferences Generate a Reduced Predation Enemy-Free Space in Its Interaction with Parasitoids.  Insects,  16  (8): (804).  [PMID:40870605] [10.3390/insects16080804]

5. Wentong Zhang, Jieying La, Huan Tan, Hai Huang, Zhilin Cheng, Ming Zhang, Ruorong Wang, Can Shi.  (2025)  Electric-field assisted enhancement of CO₂/hydrocarbon miscibility for tight sandstone oil recovery: Experimental and molecular dynamics insights.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.138399]