Hentriacontane - ≥97%(GC) , CAS No.630-04-6

CAS: 630-04-6 Cat. No.: H105308 Peso molecular: 436.84 Beilstein Registry Number: 1709817 Número EC: 685-676-0

GRADE & PURITY ≥97%(GC)

Synonyms

MFCD00048745 | Hentriacontane; Untriacontane; n-Hentriacontane | n-Hentriacontane 100 microg/mL in Hexane | H0012 | UNII-6SDG640HL3 | Q151082 | HENTRIACONTANE | T72739 | n-Hentriacontane | DTXSID0075443 | Hentriacontan | Hentriacontane, analytical standar

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00048745 | Hentriacontane; Untriacontane; n-Hentriacontane | n-Hentriacontane 100 microg/mL in Hexane | H0012 | UNII-6SDG640HL3 | Q151082 | HENTRIACONTANE | T72739 | n-Hentriacontane | DTXSID0075443 | Hentriacontan | Hentriacontane, analytical standar

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504752332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752332
• Sonrisas canónicas: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: hentriacontane
• InChIKey: IUJAMGNYPWYUPM-UHFFFAOYSA-N
• INCHI: 1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
• Isómeros SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Alemania: 3
• Peso molecular: 436.84
• Beilstein: 1709817
• Reaxy-Rn: 1709817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1709817&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 (no humanos)

Rattus norvegicus (775804 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: Soluble in Benzene
• Punto de ebullición (°C): 180°C/4mmHg
• Punto de fusión (°C): 67-69°C
• Peso molecular: 436.800 g/mol
• XLogP3: 16.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 28
• Exact Mass: 436.501 Da
• Monoisotopic Mass: 436.501 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 254.000
• 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

Referencias

1. Wentong Zhang, Jieying La, Huan Tan, Hai Huang, Zhilin Cheng, Ming Zhang, Ruorong Wang, Can Shi.  (2025)  Electric-field assisted enhancement of CO₂/hydrocarbon miscibility for tight sandstone oil recovery: Experimental and molecular dynamics insights.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.138399]