1-Octadecene - analytical standard, ≥99.5%(GC) , CAS No.112-88-9

CAS: 112-88-9 Cat. No.: O109488 Formula: C₁₈H₃₆ Molecular Weight: 252.48 Beilstein Registry Number: 1761067 EC Number: 204-012-9

GRADE & PURITY Analytical standard, ≥99.5%(GC)

Synonyms

1-Octadecene, >=95.0% (GC) | Neodene 18 | octadeca-1-ene | alpha-Octadecene | J-002862 | OCTADECENE | 1-OCTADECENE | H5ZUQ6V4AK | Q10859725 | 1-Octadene | .alpha.-Octadecene | 1-Octadecene, technical grade, 90% | AKOS015904365 | EC 248-205-6 | UNII-H5ZUQ6

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Product Introduction

Soluble in ethanol, acetone, ether, petroleum ether, and coal tar solvents, insoluble in water. Gas chromatography comparative samples are used in organic synthesis for the production of surfactants, fragrances, dyes, and polymers.

Application

Gas chromatography comparative samples are used in organic synthesis for the production of surfactants, fragrances, dyes, and polymers.

Specifications

Synonyms

1-Octadecene, >=95.0% (GC) | Neodene 18 | octadeca-1-ene | alpha-Octadecene | J-002862 | OCTADECENE | 1-OCTADECENE | H5ZUQ6V4AK | Q10859725 | 1-Octadene | .alpha.-Octadecene | 1-Octadecene, technical grade, 90% | AKOS015904365 | EC 248-205-6 | UNII-H5ZUQ6

Specifications & Purity

analytical standard, ≥99.5%(GC)

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Grade

Analytical standard

Purity

≥99.5%(GC)

Names and Identifiers

Canonical Smiles

CCCCCCCCCCCCCCCCC=C

IUPAC Name

octadec-1-ene

InChIKey

CCCMONHAUSKTEQ-UHFFFAOYSA-N

INCHI

1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3

Isomeric SMILES

CCCCCCCCCCCCCCCCC=C

WGK Germany

3

Molecular Weight

252.48

Beilstein

1761067

Reaxy-Rn

1761067

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761067&ln=

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

• Solubility: Insoluble in water, soluble in hot acetone.
• Sensitivity: Air Sensitive
• Refractive Index: 1.4435-1.4455
• Flash Point(°F): 300.2 °F
• Flash Point(°C): 154℃
• Boil Point(°C): 300°C
• Melt Point(°C): 14-17℃
• Molecular Weight: 252.500 g/mol
• XLogP3: 10.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 15
• Exact Mass: 252.282 Da
• Monoisotopic Mass: 252.282 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 148.000
• 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