2-Methyl-1-pentene - ≥98%(GC) , CAS No.763-29-1

CAS: 763-29-1 Cat. No.: M158211 Formula: C₆H₁₂ Molecular Weight: 84.16 Beilstein Registry Number: 1(1)90 EC Number: 212-108-7

GRADE & PURITY ≥98%(GC)

Synonyms

4-Methyl-4-pentene | 2-Methylpent-1-ene | 2-Methylpentene

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

FedEx DG Service

Overview

2-Methyl-1-pentene is a hydrocarbon belonging to the group of volatile organic compounds.

Specifications

Synonyms

4-Methyl-4-pentene | 2-Methylpent-1-ene | 2-Methylpentene

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

FedEx DG Service

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181760
• Canonical Smiles: CCCC(=C)C
• IUPAC Name: 2-methylpent-1-ene
• InChIKey: WWUVJRULCWHUSA-UHFFFAOYSA-N
• INCHI: 1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3
• Isomeric SMILES: CCCC(=C)C
• RTECS: SB2230000
• UN Number: 3295
• Packing Group: I
• Molecular Weight: 84.16
• Beilstein: 1(1)90
• Reaxy-Rn: 1340499
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1340499&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Unsaturated aliphatic hydrocarbons Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• 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.
• Sensitivity: air sensitive
• Refractive Index: 1.392
• Flash Point(°C): -28°C
• Boil Point(°C): 61°C
• Melt Point(°C): -136°C
• Molecular Weight: 84.160 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 84.0939 Da
• Monoisotopic Mass: 84.0939 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.000
• 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