Hexadecane - Anhydrous Grade, ≥99% , CAS No.544-76-3

CAS: 544-76-3 Cat. No.: H119704 分子式: C₁₆H₃₄ 分子量: 226.44 Beilstein Registry Number: 1736592 EC番号: 208-878-9

グレード＆純度 Anhydrous Grade, ≥99%

Synonyms

HEXADECANE [HSDB] | EC 208-878-9 | hexadecan | Cetan | Hexadecane, p.a., 99% | Hexadecane, analytical standard | SY010655 | Pentadecane, methyl- | STL453674 | UNII-F8Z00SHP6Q | CHEBI:45296 | D97389 | Hexadecane-1-D 98 atom % d | S0288 | HEXADECANE [INCI]

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

概要

Hygroscopic. Miscible with ether, soluble in acetone, slightly soluble in hot ethanol, insoluble in water. Irritating. Median lethal dose (mice, intravenous) 518 mg/kg. Gas chromatography stationary phase (maximum operating temperature 50°C, solvent: toluene) for the separation and analysis of lower hydrocarbons and metal chlorides. Gas chromatography analytical standard. Solvent. Organic synthesis.

仕様

同義語

HEXADECANE [HSDB] | EC 208-878-9 | hexadecan | Cetan | Hexadecane, p.a., 99% | Hexadecane, analytical standard | SY010655 | Pentadecane, methyl- | STL453674 | UNII-F8Z00SHP6Q | CHEBI:45296 | D97389 | Hexadecane-1-D 98 atom % d | S0288 | HEXADECANE [INCI]

仕様と純度

Anhydrous Grade, ≥99%

保管条件

Room temperature,Argon charged,Desiccated

入荷

Normal

等級

Anhydrous Grade

純度

≥99%

名前と識別子

カノニカル・スマイル

CCCCCCCCCCCCCCCC

IUPAC Name

hexadecane

InChIKey

DCAYPVUWAIABOU-UHFFFAOYSA-N

INCHI

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

異性体SMILES

CCCCCCCCCCCCCCCC

WGKドイツ

3

RTECS

ML9200000

分子量

226.44

Beilstein

1736592

Reaxy-Rn

1736592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736592&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

関連ターゲット（人間）

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.4345
• 引火点（°C）: (closed cup)135℃
• 沸点（°C）: 287°C
• 融点（°C）: 18.17°C
• 分子量: 226.440 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 13
• Exact Mass: 226.266 Da
• Monoisotopic Mass: 226.266 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 92.600
• 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