Propylcyclohexane - ≥98% , CAS No.1678-92-8

CAS: 1678-92-8 Cat. No.: P160285 분자식: C₉H₁₈ 분자량: 126.24 Beilstein Registry Number: 5(4)134 EC 번호: 216-836-6 PubChem CID: 15505

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

개요

Propylcyclohexane is a component of the surrogate biokerosene model fuel. It has been used in the kinetic studies of kerosene Jet A-1 oxidation. It has also been used to assay kerosene/rapeseed oil methyl ester (RME) mixture (80/20, mol/mol; biokerosene).

Specifications

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488182131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182131
• 정식 스마일: CCCC1CCCCC1
• IUPAC Name: propylcyclohexane
• InChIKey: DEDZSLCZHWTGOR-UHFFFAOYSA-N
• INCHI: 1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
• 이성체 SMILES: CCCC1CCCCC1
• WGK 독일: 3
• PubChem CID: 15505
• UN 번호: 3295
• 포장 그룹: III
• 분자량: 126.24
• Beilstein: 5(4)134
• Reaxy-Rn: 1900492

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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: 1.44
• 발화점(°F): 95 °F
• 발화점(°C): 35 °C
• 끓는점(°C): 157°C
• 녹는점(°C): -95°C(lit.)
• 분자량: 126.240 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 126.141 Da
• Monoisotopic Mass: 126.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 60.400
• 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

참고 문헌

1. Zehao Han, Lun Pan, Kang Xue, Jisheng Xu, Qing Liu, Ying Xu, Zhouyang Shen, Xiangwen Zhang, Ji-Jun Zou.  (2023)  Relationship between molecular structure and dehydrogenation performance of cycloalkanes.  FUEL,      [PMID:] [10.1016/j.fuel.2023.129471]

2. Yuan Jiang, Ruolan Xu, Chen Zeng, Kejie Wang, Lujia Han, Xuesong Zhang.  (2022)  Scalable decomposition-catalysis of disposable COVID-19 face mask over self-assembly metal-doping carbocatalysts for tunable value-added products.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2022.121735]

3. Mingxing Zhao, Jun Hu, Shiliang Wu, Liu Yang, Xue An, Peng Yuan, Ping Lu.  (2021)  Hydrodeoxygenation of lignin-derived phenolics over facile prepared bimetallic RuCoNx/NC.  FUEL,      [PMID:] [10.1016/j.fuel.2021.121979]

4. Wanyi Li, Wenbiao Zhang, He Li, Yi Tang, Yahong Zhang.  (2026)  Zeolite subcrystal-induced formation of short and curved NiMoS2 slabs toward highly efficient hydrodesulfurization.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2026.116672]

자주 묻는 질문

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.

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 1678-92-8, the molecular formula is C9H18, and the molecular weight is 126.24 g/mol. InChIKey DEDZSLCZHWTGOR-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.