1-Pentadecene [Standard Material for GC] - ≥99%(GC) , CAS No.13360-61-7

CAS: 13360-61-7 Cat. No.: P160605 Molecular Weight: 210.41 Beilstein Registry Number: 1(4)928 EC Number: 236-414-5 PubChem CID: 25913

GRADE & PURITY ≥99%(GC)

Synonyms

KH577LIA74 | CHEBI:77506 | MFCD00008987 | NSC77125 | NSC-77125 | S0345 | 1-Pentadecene, 98% | Pentadecene | PENTADECENE,1- | EINECS 236-414-5 | EINECS 248-364-1 | CCRIS 5721 | NSC 77125 | AS-56500 | 7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE,1,4-DIHYDRO- | FT-0608

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

KH577LIA74 | CHEBI:77506 | MFCD00008987 | NSC77125 | NSC-77125 | S0345 | 1-Pentadecene, 98% | Pentadecene | PENTADECENE, 1- | EINECS 236-414-5 | EINECS 248-364-1 | CCRIS 5721 | NSC 77125 | AS-56500 | 7H-PYRAZOLO[4, 3-D]PYRIMIDIN-7-ONE, 1, 4-DIHYDRO- | FT-0608

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCC=C
• IUPAC Name: pentadec-1-ene
• InChIKey: PJLHTVIBELQURV-UHFFFAOYSA-N
• INCHI: 1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
• Isomeric SMILES: CCCCCCCCCCCCCC=C
• PubChem CID: 25913
• Molecular Weight: 210.41
• Beilstein: 1(4)928
• Reaxy-Rn: 1751011

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Unsaturated aliphatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Unsaturated aliphatic hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Unsaturated aliphatic hydrocarbons
• Alternative Parents: Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
• External Descriptors: Hydrocarbons

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: 1.44
• Flash Point(°C): 110°C
• Boil Point(°C): 268°C(lit.)
• Melt Point(°C): -4 °C
• Molecular Weight: 210.400 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 12
• Exact Mass: 210.235 Da
• Monoisotopic Mass: 210.235 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 115.000
• 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