1,9-Decadiene - ≥98%(GC) , CAS No.1647-16-1

CAS: 1647-16-1 Cat. No.: D155279 Molecular Weight: 138.25 EC Number: 216-711-6

GRADE & PURITY ≥98%(GC)

Synonyms

NSC102789 | NSC-102789 | Deca-1,9-diene; NSC 102789; ?,?-Decadiene; 1,9-Decadiene | NCGC00257591-01 | D89618 | ?1,9-DECADIENE | 2KWZ01G244 | J-010161 | UNII-2KWZ01G244 | 1,9-Decadiene, 97% | EINECS 216-711-6 | DTXCID502159 | AM84562 | NCGC00090980-01 | D0

Storage

Room temperature

Shipped In

Normal

Overview

1,9-Decadiene acts as comonomer and undergoes acyclic diene metathesis (ADMET) copolymerization with 1, 5-hexadiene to form random linear polybutadiene -polyoctenamer copolymers. It undergoes ADMET copolymerization with divinyltetraethoxydisiloxane to yield siloxylene-vinylene-alkenylene copolymer.
1,9-Decadiene was used in synthesis and characterization of new telechelic polyoctenamers prepared by ADMET polymerization using Grubbs catalyst.

Specifications

Synonyms

NSC102789 | NSC-102789 | Deca-1, 9-diene; NSC 102789; ?, ?-Decadiene; 1, 9-Decadiene | NCGC00257591-01 | D89618 | ?1, 9-DECADIENE | 2KWZ01G244 | J-010161 | UNII-2KWZ01G244 | 1, 9-Decadiene, 97% | EINECS 216-711-6 | DTXCID502159 | AM84562 | NCGC00090980-01 | D0

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488182121
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182121
• Canonical Smiles: C=CCCCCCCC=C
• IUPAC Name: deca-1,9-diene
• InChIKey: NLDGJRWPPOSWLC-UHFFFAOYSA-N
• INCHI: 1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2
• Isomeric SMILES: C=CCCCCCCC=C
• WGK Germany: 3
• Molecular Weight: 138.25
• Reaxy-Rn: 1697870
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697870&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

Associated Targets(non-human)

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: It is soluble in organic solvents.
• Refractive Index: 1.4320 to 1.4340
• Flash Point(°F): 105.8 °F
• Flash Point(°C): 41°C
• Boil Point(°C): 165°C
• Molecular Weight: 138.250 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 7
• Exact Mass: 138.141 Da
• Monoisotopic Mass: 138.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 70.000
• 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

References

1. Bao Jingxian, Fan Yonghui, Zhang Shuyi, Zhong Liangshu, Wu Minghong, Sun Yuhan.  (2019)  Hydrofunctionalization of Olefins to Higher Aliphatic Alcohols via Visible-Light Photocatalytic Coupling.  CATALYSIS LETTERS,  149  (6): (1651-1659).  [PMID:] [10.1007/s10562-019-02737-3]