1-Octyne 1-辛炔

规格: 98%
CAS: 629-05-0
产品编号: H94613
MDL: MFCD00009546
品牌: INFI
Chemical Name1-Octyne
Synonym oct-1-yne n-hexylacetylene 1-辛炔 1-Octin 1-0ctin 1-Octyne,98+% 1-OCTYNE 1-0ctyne 正己基乙炔 caprylidene n-Hexylacetylene 1-octyne Hexylacetylene hexylacetylene Octyne-1 n-Oct-1-yne 1-Octyne (6CI, 8CI, 9CI) 1-辛炔,98+%
MDL NumberMFCD00009546
CAS Number629-05-0
PubChem Substance ID87574066
Beilstein Registry Number1,258
EC Number211-069-3
Reaxys-RN1734494
Chemical Name Translation1-辛炔
InChIKeyUMIPWJGWASORKV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00239983
InChIInChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
IUPAC Nameoct-1-yne
  • 1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase)
  • {ALD} Beilstein:1,258
  • {ALF} Can be brominated in a triphasic system containing NaBr-NaOCl-water-benzene, to give 1-bromo-1-octyne: J. Org. Chem., 57, 4555 (1992).
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  • {PUB} PubChem --- New Coupling Reaction of Secondary Amines, Aldehydes, and Alkynes Catalyzed by an Iridium Complex --- https://pubmed.ncbi.nlm.nih.gov/16737288
  • {PUB} PubChem --- Synthesis and evaluation of a C8 stationary phase on a silica hydride surface by hydrosilation of 1-octyne --- https://pubmed.ncbi.nlm.nih.gov/12735462
  • {PUB} PubChem --- Total Synthesis of (±)-Cylindricine C --- https://pubmed.ncbi.nlm.nih.gov/21838228
  • {PUB} PubChem|Springer Nature --- Charge distribution from a simple molecular orbital type calculation and non-bonding interaction terms in the force field MAB --- https://pubmed.ncbi.nlm.nih.gov/9570088
  • {PUB} PubChem|Springer Nature --- Evaluation of Fluorescent Phosphatidylserine Substrates for the Aminophospholipid Flippase in Mammalian Cells --- https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3703462
  • {PUB} PubChem|Springer Nature --- Predicting infinite dilution activity coefficients of organic compounds in water by quantum-connectivity descriptors --- https://pubmed.ncbi.nlm.nih.gov/17051339
  • {PUB} PubChem|Springer Nature --- QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants --- https://pubmed.ncbi.nlm.nih.gov
  • 629-05-0 H94613 1-Octyne
1-辛炔

    化学属性

    Mol. FormulaC8H14
    Mol. Weight110.2
    Refractive index1.4140 to 1.4170
    Boiling Point126°C
    Vapor Pressure37.7 mmHg ( 37.7 °C)
    Density0.747
    Melting Point-80 °C(lit.)
    Flash Point17°C(lit.)
    TSCAYes
    Solubility不溶于水,溶于乙醇、乙醚等。

    *以上化合物性质及应用等信息仅供参考