Octane - electronic grade, ≥99%,≥99.999% metals basis , CAS No.111-65-9

CAS: 111-65-9 Cat. No.: O431477 Fórmula: C₈H₁₈ Peso molecular: 114.23 Beilstein Registry Number: 1696875 Número EC: 203-892-1

CALIDAD & PUREZA Electronic grade, ≥99%,≥99.999% metals basis

Synonyms

octane | OCTANE [MI] | n-C8H18 | O0151 | Octane, all isomers | LMFA11000002 | OTTANE | Octane; NSC 9822; n-Octane | Octil | FT-0696530 | OCTANE [INCI] | Oktan | Normal octane | Ottani [Italian] | Q150681 | DTXCID406882 | InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-

Storage

Room temperature

Shipped In

FedEx DG Service

Especificaciones

Sinónimos

octane | OCTANE [MI] | n-C8H18 | O0151 | Octane, all isomers | LMFA11000002 | OTTANE | Octane; NSC 9822; n-Octane | Octil | FT-0696530 | OCTANE [INCI] | Oktan | Normal octane | Ottani [Italian] | Q150681 | DTXCID406882 | InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-

Especificaciones y pureza

electronic grade, ≥99%,≥99.999% metals basis

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

Calidad electrónica

Pureza

≥99%,≥99.999% metals basis

Nombres e identificadores

Sonrisas canónicas

CCCCCCCC

IUPAC Name

octane

InChIKey

TVMXDCGIABBOFY-UHFFFAOYSA-N

INCHI

1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

Isómeros SMILES

CCCCCCCC

WGK Alemania

2

RTECS

RG8400000

Número ONU

1262

Grupo de embalaje

II

Peso molecular

114.23

Beilstein

1696875

Reaxy-Rn

1696875

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696875&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: 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

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.397
• Punto de inflamación (°F): 55.4 °F
• Punto de inflamación (°C): 14°C
• Punto de ebullición (°C): 125°C
• Punto de fusión (°C): -57°C(lit.)
• Peso molecular: 114.230 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 114.141 Da
• Monoisotopic Mass: 114.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 25.000
• 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