Hexatriacontane - analytical standard, ≥99%(GC) , CAS No.630-06-8

CAS: 630-06-8 Cat. No.: H100670 Molecular Weight: 506.97 Beilstein Registry Number: 1712367 EC Number: 211-127-8

GRADE & PURITY Analytical standard, ≥99%(GC)

Synonyms

LS-15387 | CHEBI:72688 | HEXATRIACONTANE, 98% | DTXSID7060885 | W-104941 | CH3-[CH2]34-CH3 | Q151185 | Hexatriacontane, n- | 2994BC5D-52BE-44F8-9824-0253A3BD2243 | AKOS015902574 | n-Hexatriacontane | MFCD00009413 | Hexatriacontane; NSC 407536; n-Hexatriac

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

LS-15387 | CHEBI:72688 | HEXATRIACONTANE, 98% | DTXSID7060885 | W-104941 | CH3-[CH2]34-CH3 | Q151185 | Hexatriacontane, n- | 2994BC5D-52BE-44F8-9824-0253A3BD2243 | AKOS015902574 | n-Hexatriacontane | MFCD00009413 | Hexatriacontane; NSC 407536; n-Hexatriac

Specifications & Purity

analytical standard, ≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99%(GC)

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: hexatriacontane
• InChIKey: YDLYQMBWCWFRAI-UHFFFAOYSA-N
• INCHI: 1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• UN Number: 1325
• Molecular Weight: 506.97
• Beilstein: 1712367
• Reaxy-Rn: 1712367
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1712367&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: long-chain 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.436
• Boil Point(°C): 265°C
• Melt Point(°C): 75.8°C
• Molecular Weight: 507.000 g/mol
• XLogP3: 19.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 33
• Exact Mass: 506.579 Da
• Monoisotopic Mass: 506.579 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 312.000
• 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

References

1. Xinxin He, Xiaoya Liu, Jun Tang, Haifeng Dong, Yasuhiro Sugawara, Yan Jun Li, Zongmin Ma, Jun Liu.  (2023)  Effect of Preparation Processes on Structural Thermal Stability and Collision Energy Dissipation of Common Antirelaxation Coatings on Quartz Substrates.  LANGMUIR,      [PMID:37651224] [10.1021/acs.langmuir.3c01480]

2. Yanxiao Chen, Huifen Zhang, Xian Luo, Shiyun Jiao, Baocai Li, Mi Zhang.  (2023)  Influence of the processing factors on deresination rate and the residual resin on properties of deresined montan wax.  CHEMICAL ENGINEERING COMMUNICATIONS,      [PMID:] [10.1080/00986445.2021.2015338]

3. Yan Zhang, Huan Liu, Shan Yu, Ruocheng Pei, Haiyang Hu, Weiwei Wang, Ping Xu, Hongzhi Tang.  (2025)  Characterization of C16–C36 alkane degradation and oily sludge bioremediation by Rhodococcus erythropolis XP.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:41334916] [10.1128/aem.02124-25]