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

CAS: 15232-76-5 Cat. No.: O159919 분자식: C₈H₁₄ 분자량: 110.2 Beilstein Registry Number: 1(4)1036 EC 번호: 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

동의어

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

사양 및 순도

≥99%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice,FedEx DG Service

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순수함

≥99%(GC)

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: CCCCC#CCC
• 분자량: 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
    • 분류 Unsaturated hydrocarbons
      • Subclass Acetylenes
        • Level5 Acyclic acetylenes
          • Level6 Alkynes
            • Level7 Terminal alkynes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Heat Sensitive
• 굴절률: 1.42
• 발화점(°F): 21°C(lit.)
• 발화점(°C): 21°C(lit.)
• 끓는점(°C): 133°C
• 분자량: 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