Triacontane - ≥98% , CAS No.638-68-6

CAS: 638-68-6 Cat. No.: T100264 Molecular Weight: 422.81 Beilstein Registry Number: 1777281 EC Number: 211-349-5

GRADE & PURITY ≥98%

Synonyms

LMFA11000588 | n-Triacontane | CH3-(CH2)28-CH3 | NSC 158661 | T0594 | AS-48050 | Q151058 | CHEBI:31006 | AKOS024257521 | CH3-[CH2]28-CH3 | NCGC00165977-01 | NSC158661 | DTXSID0060935 | F17598 | FT-0632719 | HSDB 8360 | A387C655-6236-4AC5-80E3-45EDC0B765D1

Storage

Room temperature

Shipped In

Normal

Overview

Interfacial molecular ordering of triacontane, at the SiO2/air interface, for submonolayer and excess coverage has been investigated.

Application：

n-Triacontane is used to improve the threshold voltage and mobility for electrons of ambipolar organic light emitting field effect transistors with modified asymmetric

Specifications

Synonyms

LMFA11000588 | n-Triacontane | CH3-(CH2)28-CH3 | NSC 158661 | T0594 | AS-48050 | Q151058 | CHEBI:31006 | AKOS024257521 | CH3-[CH2]28-CH3 | NCGC00165977-01 | NSC158661 | DTXSID0060935 | F17598 | FT-0632719 | HSDB 8360 | A387C655-6236-4AC5-80E3-45EDC0B765D1

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181695
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181695
• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: triacontane
• InChIKey: JXTPJDDICSTXJX-UHFFFAOYSA-N
• INCHI: 1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• Molecular Weight: 422.81
• Beilstein: 1777281
• Reaxy-Rn: 1777281

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)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in benzene, and toluene. Insoluble in water.
• Flash Point(°F): 458°F
• Flash Point(°C): 237℃
• Boil Point(°C): 258-259 °C/3 mmHg
• Melt Point(°C): 66°C
• Molecular Weight: 422.800 g/mol
• XLogP3: 15.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 27
• Exact Mass: 422.485 Da
• Monoisotopic Mass: 422.485 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 241.000
• 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. Tingting Wang, Jiawei Jing, Pengfei Huang, Xinyu Guo, Chuan Li, Yuanyuan Qu.  (2025)  Bioremediation of alkane–containing saline soils using the long–chain alkane–degrading bacterium Pseudomonas aeruginosa DL: Effects, communities, and networks.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39874757] [10.1016/j.jhazmat.2025.137401]

2. Ruizhe Chen, Leilei Cheng, Wenbo Zhang, Jing Gu, Haoran Yuan, Yong Chen.  (2025)  Synergistic and antagonistic effects of ZnO/Zn2+ species and Brønsted/Lewis acid sites variations on the catalytic conversion of polyethylene to aromatics.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:40684600] [10.1016/j.jenvman.2025.126638]