1,11-Dodecadiene - ≥96% , CAS No.5876-87-9

CAS: 5876-87-9 Cat. No.: D155636 Summenformel: C₁₂H₂₂ Molekulargewicht: 166.31 Beilstein Registry Number: 1(4)1067

GRADE & PURITY ≥96%

Synonyms

MFCD00048156 | D89622 | SY055028 | Dodecadiene, 1,11- | DTXSID60207492 | FT-0606042 | dodeca-1,11-diene | 1,11-DODECADIENE | BS-22654 | IYPLTVKTLDQUGG-UHFFFAOYSA-N | D0283 | AKOS006229978

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD00048156 | D89622 | SY055028 | Dodecadiene, 1,11- | DTXSID60207492 | FT-0606042 | dodeca-1,11-diene | 1,11-DODECADIENE | BS-22654 | IYPLTVKTLDQUGG-UHFFFAOYSA-N | D0283 | AKOS006229978

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504753067
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753067
• Kanonisches Lächeln: C=CCCCCCCCCC=C
• IUPAC Name: dodeca-1,11-diene
• InChIKey: IYPLTVKTLDQUGG-UHFFFAOYSA-N
• INCHI: 1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-12H2
• Isomere SMILES: C=CCCCCCCCCC=C
• Molekulargewicht: 166.31
• Beilstein: 1(4)1067
• Reaxy-Rn: 1737596
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737596&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Klasse Unsaturated hydrocarbons
      • Subclass Olefins
        • Ebene5 Acyclic olefins
          • Ebene6 Alkadienes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Acyclic olefins
• Direct Parent: Alkadienes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkadiene - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkadienes. These are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds.
• 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.44
• Flammpunkt (°C): 69 °C
• Siedepunkt (°C): 207°C
• Molekulargewicht: 166.300 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 166.172 Da
• Monoisotopic Mass: 166.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 88.600
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5876-87-9, the molecular formula is C12H22, and the molecular weight is 166.31 g/mol. InChIKey IYPLTVKTLDQUGG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.