n-Hexane - analytical standard, ≥99.5%(GC) , CAS No.110-54-3

CAS: 110-54-3 Cat. No.: H109659 Fórmula: C₆H₁₄ Peso molecular: 86.18 Beilstein Registry Number: 1730733 Número CE: 203-777-6

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

Synonyms

Hexane, Laboratory Reagent, >=95% | FT-0657006 | n-Hexane, ACS grade | DTXCID001917 | Heksan | N-HEXANE [MI] | n-Hexane 100 microg/mL in Methanol | Epitope ID:116866 | Hexane, JIS special grade, >=96.0% | AI3-24253 | HEXANE | Hexane, for HPLC, >=97.0% (GC

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Visão geral

There is a slight special odor. Highly volatile, irritating to the respiratory tract, and has an anesthetic effect at high concentrations. Soluble in ethanol, ether, acetone, and chloroform, insoluble in water. Steam can form explosive mixtures with air, with an explosive limit of 1.18% -7.43% by volume. The median lethal dose (rat, oral) is 49ml/kg. It is stimulating.

Specifications

Sinónimos

Hexane, Laboratory Reagent, >=95% | FT-0657006 | n-Hexane, ACS grade | DTXCID001917 | Heksan | N-HEXANE [MI] | n-Hexane 100 microg/mL in Methanol | Epitope ID:116866 | Hexane, JIS special grade, >=96.0% | AI3-24253 | HEXANE | Hexane, for HPLC, >=97.0% (GC

Especificações e pureza

analytical standard, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

FedEx DG Service

Grau

Analytical standard

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

508813809

Sorrisos canónicos

CCCCCC

IUPAC Name

hexane

InChIKey

VLKZOEOYAKHREP-UHFFFAOYSA-N

INCHI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

SMILES isoméricas

CCCCCC

WGK Alemanha

2

RTECS

MN9275000

Número UN

1208

Grupo de embalagem

II

Peso molecular

86.18

Beilstein

1730733

Reaxy-Rn

1730733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730733&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrição: 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: a small molecule

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

Alvos associados (humanos)

HL-60 (67320 Activities)

Explore this target

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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Listeria monocytogenes (2626 Activities)

Explore this target

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

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in most organic solvents such as ethanol and ether.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.375
• Ponto de inflamação (°F): -8°F
• Ponto de inflamação (°C): -22℃
• Ponto de ebulição (°C): 69°C
• Ponto de fusão (°C): -95°C(lit.)
• Peso molecular: 86.180 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 86.1096 Da
• Monoisotopic Mass: 86.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 12.000
• 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