Dodecane - Standard for GC, ≥99.5%(GC) , CAS No.112-40-3

CAS: 112-40-3 Cat. No.: D108176 Fórmula: C₁₂H₂₆ Peso molecular: 170.33 Beilstein Registry Number: 1697175 Número EC: 203-967-9

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

CAS-112-40-3 | Dodecane, ReagentPlus(R), >=99% | Dihexyl | CCRIS 661 | C12-N-ALKANE | D0968 | Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated | MFCD00008969 | NSC 8714 | FT-0625568 | NSC8714 | NSC-8714 | Density Standar

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

CAS-112-40-3 | Dodecane, ReagentPlus(R), >=99% | Dihexyl | CCRIS 661 | C12-N-ALKANE | D0968 | Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated | MFCD00008969 | NSC 8714 | FT-0625568 | NSC8714 | NSC-8714 | Density Standar

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Desiccated,Room temperature

Enviado en

Normal

Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

504751618

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751618

Sonrisas canónicas

CCCCCCCCCCCC

IUPAC Name

dodecane

InChIKey

SNRUBQQJIBEYMU-UHFFFAOYSA-N

INCHI

1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

Isómeros SMILES

CCCCCCCCCCCC

WGK Alemania

3

RTECS

JR2125000

Peso molecular

170.33

Beilstein

1697175

Reaxy-Rn

1697175

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697175&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: an alkane

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

Objetivos asociados (humanos)

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, easily soluble in ethanol, ether, acetone, chloroform, and carbon tetrachloride.
• Sensibilidad: moisture sensitive
• Índice de refracción: 1.4221
• Punto de inflamación (°F): 158.0 °F
• Punto de inflamación (°C): 71℃
• Punto de ebullición (°C): 213°C
• Punto de fusión (°C): -12°C
• Peso molecular: 170.330 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 170.203 Da
• Monoisotopic Mass: 170.203 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 56.400
• 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

Preguntas frecuentes

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

This product is supplied at ≥99.5% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

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

What does Standard for GC mean?

Standard for GC indicates that the chemical has been purified and tested specifically for use in gas chromatography. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. Standard for GC is used for mobile phases, sample preparation and analytical standards in this workflow.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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

The CAS Number is 112-40-3, the molecular formula is C12H26, and the molecular weight is 170.33 g/mol. InChIKey SNRUBQQJIBEYMU-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.