Dodecane - ≥98% , CAS No.112-40-3

CAS: 112-40-3 Cat. No.: D108175 Formula: C₁₂H₂₆ Molecular Weight: 170.33 Beilstein Registry Number: 1697175 EC Number: 203-967-9

GRADE & PURITY ≥98%

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

Room temperature,Desiccated

Shipped In

Normal

Specifications

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

Specifications & Purity

≥98%

Storage

Room temperature,Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180720
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180720
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCC
• WGK Germany: 3
• RTECS: JR2125000
• Molecular Weight: 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
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, easily soluble in ethanol, ether, acetone, chloroform, and carbon tetrachloride.
• Sensitivity: Hygroscopic
• Refractive Index: 1.4221
• Flash Point(°F): 158.0 °F
• Flash Point(°C): 71℃
• Boil Point(°C): 213°C
• Melt Point(°C): -12°C
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, 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 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.