Hexadecane - analytical standard, ≥99.5%(GC) , CAS No.544-76-3

CAS: 544-76-3 Cat. No.: H103408 분자식: C₁₆H₃₄ 분자량: 226.44 Beilstein Registry Number: 1736592 EC 번호: 208-878-9

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

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

개요

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.

Specifications

동의어

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]

사양 및 순도

analytical standard, ≥99.5%(GC)

보관 조건

Room temperature,Argon charged,Desiccated

배송

Normal

등급

분석 표준물질

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

528772316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528772316

정식 스마일

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

이성체 SMILES

CCCCCCCCCCCCCCCC

WGK 독일

3

RTECS

ML9200000

분자량

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
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, slightly soluble in ethanol, easily soluble in ether.
• 감도: Moisture Sensitive for argon
• 굴절률: 1.4345
• 발화점(°C): (closed cup)135℃
• 끓는점(°C): 287°C
• 녹는점(°C): 18.17°C
• 분자량: 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