1,3,5-Undecatriene (mixture of isomers) - ≥75%(GC) , CAS No.16356-11-9

CAS: 16356-11-9 Cat. No.: U162904 Molecular Weight: 150.27 EC Number: 240-416-1 PubChem CID: 5367412

GRADE & PURITY ≥75%(GC)

Synonyms

(3E,5E)-1,3,5-Undecatriene | Tox21_303704 | 1,3,5-Undecatriene, (3E,5E)- | Q27277175 | 1-(E,E)-3,5-Undecatriene | U0062 | FEMA No. 3795 | DTXSID9047546 | NCGC00357023-01 | 4,5-Dihydroxy-m-benzenedisulfonic acid disodium salt | 465EKH3OG1 | E,E)-1,3,5-UNDE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(3E, 5E)-1, 3, 5-Undecatriene | Tox21_303704 | 1, 3, 5-Undecatriene, (3E, 5E)- | Q27277175 | 1-(E, E)-3, 5-Undecatriene | U0062 | FEMA No. 3795 | DTXSID9047546 | NCGC00357023-01 | 4, 5-Dihydroxy-m-benzenedisulfonic acid disodium salt | 465EKH3OG1 | E, E)-1, 3, 5-UNDE

Specifications & Purity

≥75%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥75%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCC=CC=CC=C
• IUPAC Name: (3E,5E)-undeca-1,3,5-triene
• InChIKey: JQQDKNVOSLONRS-JEGFTUTRSA-N
• INCHI: 1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5+,11-9+
• Isomeric SMILES: CCCCC/C=C/C=C/C=C
• RTECS: YQ2833000
• PubChem CID: 5367412
• Molecular Weight: 150.27
• Reaxy-Rn: 1840900

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Acyclic olefins
• Direct Parent: Alkatrienes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkatriene - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkatrienes. These are acyclic hydrocarbons that contain exactly three 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

• Sensitivity: Heat Sensitive
• Refractive Index: 1.5
• Flash Point(°F): 65°C(lit.)
• Flash Point(°C): 65°C(lit.)
• Boil Point(°C): 88 °C/1 mmHg
• Molecular Weight: 150.260 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 150.141 Da
• Monoisotopic Mass: 150.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1