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

CAS: 110-54-3 Cat. No.: H109659 Formule: C₆H₁₄ Poids moléculaire: 86.18 Beilstein Registry Number: 1730733 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

analytical standard, ≥99.5%(GC)

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

FedEx DG Service

Grade

Étalon d'analyse

Pureté

≥99.5%(GC)

Noms et identifiants

Pubchem Sid

508813809

Sourires canoniques

CCCCCC

IUPAC Name

hexane

InChIKey

VLKZOEOYAKHREP-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CCCCCC

WGK Allemagne

2

RTECS

MN9275000

Numéro ONU

1208

Groupe d'emballage

II

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

HL-60 (67320 Activities)

Explore this target

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in most organic solvents such as ethanol and ether.
• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.375
• Point d'éclair (°F): -8°F
• Point d'éclair (°C): -22℃
• Point d'ébullition (°C): 69°C
• Point de fusion (°C): -95°C(lit.)
• Poids moléculaire: 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