2,4-Dimethyl-1-heptene - ≥98%(GC) , CAS No.19549-87-2

CAS: 19549-87-2 Cat. No.: D155264 Formula: C₉H₁₈ Peso molecolare: 126.24 Numero EC: 679-722-9

GRADE & PURITY ≥98%(GC)

Synonyms

D1258 | MFCD00059250 | CZGAOHSMVSIJJZ-UHFFFAOYSA-N | DTXSID90864895 | 2,4-Dimethyl-1-heptene | 2,4-dimethylhept-1-ene | D89821 | CHEBI:141563 | 1-Heptene, 2,4-dimethyl | 1-Heptene, 2,4-dimethyl- | 2,4-Dimethyl-1-hepten | FT-0610153 | InChI=1/C9H18/c1-5-6-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

D1258 | MFCD00059250 | CZGAOHSMVSIJJZ-UHFFFAOYSA-N | DTXSID90864895 | 2,4-Dimethyl-1-heptene | 2,4-dimethylhept-1-ene | D89821 | CHEBI:141563 | 1-Heptene, 2,4-dimethyl | 1-Heptene, 2,4-dimethyl- | 2,4-Dimethyl-1-hepten | FT-0610153 | InChI=1/C9H18/c1-5-6-

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504756923

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756923

Sorrisi canonici

CCCC(C)CC(=C)C

IUPAC Name

2,4-dimethylhept-1-ene

InChIKey

CZGAOHSMVSIJJZ-UHFFFAOYSA-N

INCHI

1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3

Isomeri SMILES

CCCC(C)CC(=C)C

Peso molecolare

126.24

Reaxy-Rn

1736468

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736468&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.42
• Punto di infiammabilità (°C): 22.7 °C
• Punto di ebollizione (°C): 134°C(lit.)
• Peso molecolare: 126.240 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 126.141 Da
• Monoisotopic Mass: 126.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19549-87-2, the molecular formula is C9H18, and the molecular weight is 126.24 g/mol. InChIKey CZGAOHSMVSIJJZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.