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 CE: 203-892-1

GRAU & 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

Especificações

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-

Especificações e pureza

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

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Electronic grade

Pureza

≥99%,≥99.999% metals basis

Nomes e identificadores

Sorrisos canónicos

CCCCCCCC

IUPAC Name

octane

InChIKey

TVMXDCGIABBOFY-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

CCCCCCCC

WGK Alemanha

2

RTECS

RG8400000

Número UN

1262

Grupo de embalagem

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
    • 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 (não 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 ação

Propriedades químicas e físicas

• Índice de refração: 1.397
• Ponto de inflamação (°F): 55.4 °F
• Ponto de inflamação (°C): 14°C
• Ponto de ebulição (°C): 125°C
• Ponto de fusão (°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