Polyisobutylene（PIB） - average Mw ~500000, average Mn ~200000 by GPC/MALLS, average Mv ~420000 , CAS No.9003-27-4

CAS: 9003-27-4 Cat. No.: P434438 Formula: [CH₂C(CH₃)₂]n EC Number: 618-360-8

GRADE & PURITY average Mw ~500000, average Mn ~200000 by GPC/MALLS, average Mv ~420000

Synonyms

2-Methylpropyline | 1-Propene, 2-methyl- | HSDB 613 | sym-Dimethylethylene | isobutylene, various grades | UN 1055 | I0091 | .gamma.-Butylene | 2-Methyl-1-propene | 2-methyl-2 propene | I1082 | Isobutene (ca. 10% in Isopropyl Ether) | 2-methyl-2-propene |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Methylpropyline | 1-Propene, 2-methyl- | HSDB 613 | sym-Dimethylethylene | isobutylene, various grades | UN 1055 | I0091 | .gamma.-Butylene | 2-Methyl-1-propene | 2-methyl-2 propene | I1082 | Isobutene (ca. 10% in Isopropyl Ether) | 2-methyl-2-propene |

Specifications & Purity

average Mw ~500000, average Mn ~200000 by GPC/MALLS, average Mv ~420000

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Canonical Smiles

CC(=C)C

IUPAC Name

2-methylprop-1-ene

InChIKey

VQTUBCCKSQIDNK-UHFFFAOYSA-N

INCHI

1S/C4H8/c1-4(2)3/h1H2,2-3H3

Isomeric SMILES

CC(=C)C

Reaxy-Rn

773645

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773645&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: alkene

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

• Molecular Weight: 56.110 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 56.0626 Da
• Monoisotopic Mass: 56.0626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 23.000
• 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