2,4-Dimethylheptane - ≥95% , CAS No.2213-23-2

CAS: 2213-23-2 Cat. No.: D1524162 Fórmula: C₉H₂₀ Peso molecular: 128.26 Beilstein Registry Number: 1(4)457 Número CE: 623-649-7

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥95%

Nomes e identificadores

• Sorrisos canónicos: CCCC(C)CC(C)C
• IUPAC Name: 2,4-dimethylheptane
• InChIKey: AUKVIBNBLXQNIZ-UHFFFAOYSA-N
• INCHI: 1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
• SMILES isoméricas: CCCC(C)CC(C)C
• Número UN: 1920
• Grupo de embalagem: III
• Peso molecular: 128.26
• Beilstein: 1(4)457
• Reaxy-Rn: 1730876
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730876&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Acetone,Benzene,Ether,Alcohol
• Índice de refração: 1.4
• Ponto de inflamação (°C): 52 °C
• Ponto de ebulição (°C): 133°C
• Peso molecular: 128.250 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 128.157 Da
• Monoisotopic Mass: 128.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 55.100
• 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

Referências

1. Xi-Zhong Yan, Zhi-Yu Wang, Li Ma, Cheng-Fei Song, Jin-Yu Zhao, Chen-Zhu Wang, Chi Hao.  (2023)  Electroantennogram and behavioural responses of Plutella xylostella to volatiles from the non-host plant Mentha spicata.  JOURNAL OF APPLIED ENTOMOLOGY,  147  (7): (511-519).  [PMID:] [10.1111/jen.13144]

2. Fu Shuhui, Li Fangyuan, Yan Xizhong, Hao Chi.  (2020)  Expression Profiles and Binding Properties of the Chemosensory Protein PxylCSP11 from the Diamondback Moth, Plutella xylostella (Lepidoptera: Plutellidae).  JOURNAL OF INSECT SCIENCE,  20  (5):   [PMID:33057681] [10.1093/jisesa/ieaa107]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 2213-23-2, the molecular formula is C9H20, and the molecular weight is 128.26 g/mol. InChIKey AUKVIBNBLXQNIZ-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.