3-Octyne - ≥99%(GC) , CAS No.15232-76-5

CAS: 15232-76-5 Cat. No.: O159919 Formule: C₈H₁₄ Poids moléculaire: 110.2 Beilstein Registry Number: 1(4)1036 Numéro CE: 239-280-6

GRADE & PURITY ≥99%(GC)

Synonyms

InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H3 | Oct-3-yne | Ethylbutylacetylene | D91806 | C4H9C.$.CC2H5 | 1-Ethyl-2-butylacetylene | UDEISTCPVNLKRJ-UHFFFAOYSA-N | MFCD00027276 | DTXSID60871238 | FT-0616291 | EINECS 239-280-6 | Butylethylacetylene | AKOS0

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonymes

InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H3 | Oct-3-yne | Ethylbutylacetylene | D91806 | C4H9C.$.CC2H5 | 1-Ethyl-2-butylacetylene | UDEISTCPVNLKRJ-UHFFFAOYSA-N | MFCD00027276 | DTXSID60871238 | FT-0616291 | EINECS 239-280-6 | Butylethylacetylene | AKOS0

Spécifications et pureté

≥99%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%(GC)

Noms et identifiants

• Sourires canoniques: CCCCC#CCC
• IUPAC Name: oct-3-yne
• InChIKey: UDEISTCPVNLKRJ-UHFFFAOYSA-N
• INCHI: 1S/C8H14/c1-3-5-7-8-6-4-2/h3-5,7H2,1-2H3
• Isomères SMILES: CCCCC#CCC
• Poids moléculaire: 110.2
• Beilstein: 1(4)1036
• Reaxy-Rn: 1733420
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733420&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Acetylenes
        • Level5 Acyclic acetylenes
          • Level6 Alkynes
            • Level7 Terminal alkynes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Acetylenes
• Intermediate Tree Nodes: Acyclic acetylenes - Alkynes
• Direct Parent: Terminal alkynes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as terminal alkynes. These are alkynes featuring a carbon substituent on one acetylenic carbon, and a hydrogen on the other carbon.
• External Descriptors: Not available

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

Propriétés chimiques et physiques

• Sensibilité: Heat Sensitive
• Indice de réfraction: 1.42
• Point d'éclair (°F): 21°C(lit.)
• Point d'éclair (°C): 21°C(lit.)
• Point d'ébullition (°C): 133°C
• Poids moléculaire: 110.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 110.11 Da
• Monoisotopic Mass: 110.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 89.100
• 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