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

CAS: 629-94-7 Cat. No.: H108916 Peso molecular: 296.57 Beilstein Registry Number: 1748500 Número EC: 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

Shipped In

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

analytical standard, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥99.5%(GC)

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCCC
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Saturated hydrocarbons
      • Subclass Alkanes

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

Propiedades químicas y físicas

• Solubilidad: Soluble in Benzene
• Punto de inflamación (°F): 113 °C
• Punto de inflamación (°C): 113°C
• Punto de ebullición (°C): 100°C
• Punto de fusión (°C): 39-41°C
• Peso molecular: 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

Referencias

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]