cis-1,3-Pentadiene (stabilized with TBC) - ≥97% , CAS No.1574-41-0

CAS: 1574-41-0 Cat. No.: C347489 Molecular Weight: 68.12 Beilstein Registry Number: 1(4)994 EC Number: 216-401-0

GRADE & PURITY ≥97%

Synonyms

1,3-PENTADIENE (3Z)-FORM [MI] | cis-1,3-Pentadiene, analytical standard | cis-1,3-Pentadiene | cis-1-Methylbutadiene | (3Z)-penta-1,3-diene | (Z)-CH2=CHCH=CHCH3 | (Z)-PIPERYLENE | CCRIS 8965 | EINECS 216-401-0 | MFCD00063977 | (3Z)-1,3-Pentadiene | Q27286

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 3-PENTADIENE (3Z)-FORM [MI] | cis-1, 3-Pentadiene, analytical standard | cis-1, 3-Pentadiene | cis-1-Methylbutadiene | (3Z)-penta-1, 3-diene | (Z)-CH2=CHCH=CHCH3 | (Z)-PIPERYLENE | CCRIS 8965 | EINECS 216-401-0 | MFCD00063977 | (3Z)-1, 3-Pentadiene | Q27286

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC=CC=C
• IUPAC Name: (3Z)-penta-1,3-diene
• InChIKey: PMJHHCWVYXUKFD-PLNGDYQASA-N
• INCHI: 1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
• Isomeric SMILES: C/C=C\C=C
• RTECS: RZ2469000
• UN Number: 3295
• Packing Group: II
• Molecular Weight: 68.12
• Beilstein: 1(4)994
• Reaxy-Rn: 1523657
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1523657&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

• Solubility: Insoluble in water, Soluble in methanol
• Sensitivity: Heat sensitive
• Refractive Index: 1.44
• Boil Point(°C): 43° C
• Melt Point(°C): -140° C
• Molecular Weight: 68.120 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 68.0626 Da
• Monoisotopic Mass: 68.0626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1