Dotriacontane - Standard for GC, ≥98%(GC) , CAS No.544-85-4

CAS: 544-85-4 Cat. No.: D104738 분자식: C₃₂H₆₆ 분자량: 450.87 Beilstein Registry Number: 1783260 EC 번호: 208-881-5

GRADE & PURITY Standard for GC, ≥98%(GC)

Synonyms

Bicetyl | CH3-(CH2)30-CH3 | LMFA11000570 | n-Dotriacontane 100 microg/mL in n-Hexane | Dotriacontane, analytical standard | FT-0625591 | Dotriacontane, n- | M01641 | EINECS 208-881-5 | NSC 6361 | CH3-[CH2]30-CH3 | NSC6361 | NSC-6361 | D0998 | D89756 | WLN

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Bicetyl | CH3-(CH2)30-CH3 | LMFA11000570 | n-Dotriacontane 100 microg/mL in n-Hexane | Dotriacontane, analytical standard | FT-0625591 | Dotriacontane, n- | M01641 | EINECS 208-881-5 | NSC 6361 | CH3-[CH2]30-CH3 | NSC6361 | NSC-6361 | D0998 | D89756 | WLN

사양 및 순도

Standard for GC, ≥98%(GC)

보관 조건

Room temperature

배송

Normal

등급

Standard for GC

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 508811465
• 정식 스마일: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: dotriacontane
• InChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-N
• INCHI: 1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK 독일: 3
• RTECS: JT2360000
• 분자량: 450.87
• Beilstein: 1783260
• Reaxy-Rn: 1783260
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1783260&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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: Hydrocarbons

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

화학 및 물리적 특성

• 굴절률: 1.455
• 끓는점(°C): 467°C
• 녹는점(°C): 69.7°C
• 분자량: 450.900 g/mol
• XLogP3: 16.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 29
• Exact Mass: 450.516 Da
• Monoisotopic Mass: 450.516 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 264.000
• 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

참고 문헌

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. Qing Du, Xin Shang, Yangyang Yuan, Xiong Su, Yanqiang Huang.  (2025)  Hydrocracking of Polyethylene to Gasoline-Range Hydrocarbons over a Ruthenium-Zeolite Bifunctional Catalyst System with Optimal Synergy of Metal and Acid Sites.  Catalysts,  15  (4): (335).  [PMID:] [10.3390/catal15040335]