1,8-Nonadiene - ≥98% , CAS No.4900-30-5

CAS: 4900-30-5 Cat. No.: N159233 Molecular Weight: 124.23 Beilstein Registry Number: 1(3)1013 EC Number: 225-527-5

GRADE & PURITY ≥98%

Synonyms

1,8-Nonadiene, 99% | N0332 | nona-1,8-diene | D91681 | 1,8-Nonadiene | FT-0607057 | MFCD00008669 | EINECS 225-527-5 | AKOS025295366 | DTXSID6063642

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

1, 8-Nonadiene, 99% | N0332 | nona-1, 8-diene | D91681 | 1, 8-Nonadiene | FT-0607057 | MFCD00008669 | EINECS 225-527-5 | AKOS025295366 | DTXSID6063642

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C=CCCCCCC=C
• IUPAC Name: nona-1,8-diene
• InChIKey: VJHGSLHHMIELQD-UHFFFAOYSA-N
• INCHI: 1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-9H2
• Isomeric SMILES: C=CCCCCCC=C
• Molecular Weight: 124.23
• Beilstein: 1(3)1013
• Reaxy-Rn: 1733684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Acyclic olefins
          • Level6 Alkadienes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.43
• Flash Point(°F): 26°C(lit.)
• Flash Point(°C): 26°C
• Boil Point(°C): 132°C
• Molecular Weight: 124.220 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 124.125 Da
• Monoisotopic Mass: 124.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 62.100
• 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