Octane - Standard for GC, ≥99.5%(GC) , CAS No.111-65-9

CAS: 111-65-9 Cat. No.: O100581 분자식: C₈H₁₈ 분자량: 114.23 Beilstein Registry Number: 1696875 EC 번호: 203-892-1

GRADE & PURITY Standard for GC, ≥99.5%(GC)

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

Specifications

동의어

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-

사양 및 순도

Standard for GC, ≥99.5%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

등급

Standard for GC

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508813849

정식 스마일

CCCCCCCC

IUPAC Name

octane

InChIKey

TVMXDCGIABBOFY-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CCCCCCCC

WGK 독일

2

RTECS

RG8400000

UN 번호

1262

포장 그룹

II

분자량

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
    • 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: 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

관련 대상(비인간)

Rattus norvegicus (775804 Activities)

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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, soluble in most organic solvents such as ethanol, ether, benzene and acetone.
• 굴절률: 1.397
• 발화점(°F): 55.4 °F
• 발화점(°C): 14°C
• 끓는점(°C): 125°C
• 녹는점(°C): -57°C(lit.)
• 분자량: 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