1,4-Diethylbenzene - Standard for GC, ≥99.5%(GC) , CAS No.105-05-5

CAS: 105-05-5 Cat. No.: D107652 Peso molecular: 134.22 Beilstein Registry Number: 1903396 Número EC: 203-265-2

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

1,4-DIETHYLBENZENE|105-05-5|p-Diethylbenzene|Benzene, 1,4-diethyl-|p-Ethylethylbenzene|Benzene, p-diethyl-|para-Diethylbenzene|1,4-diethyl-benzene|0PSM16X42D|DTXSID4026711|CHEBI:34062|1,4-Diethylbenzene-d14|HSDB 4083|EINECS 203-265-2|UNII-0PSM16X42D|Benze

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

1, 4-DIETHYLBENZENE | 105-05-5 | p-Diethylbenzene | Benzene, 1, 4-diethyl- | p-Ethylethylbenzene | Benzene, p-diethyl- | para-Diethylbenzene | 1, 4-diethyl-benzene | 0PSM16X42D | DTXSID4026711 | CHEBI:34062 | 1, 4-Diethylbenzene-d14 | HSDB 4083 | EINECS 203-265-2 | UNII-0PSM16X42D | Benze

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCC1=CC=C(C=C1)CC
• IUPAC Name: 1,4-diethylbenzene
• InChIKey: DSNHSQKRULAAEI-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
• Isómeros SMILES: CCC1=CC=C(C=C1)CC
• WGK Alemania: 3
• RTECS: CZ5640700
• Número ONU: 2049
• Grupo de embalaje: III
• Peso molecular: 134.22
• Beilstein: 1903396
• Reaxy-Rn: 1903396
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903396&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: benzenes

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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in most organic solvents such as ethanol, benzene, and carbon tetrachloride.
• Índice de refracción: 1.5
• Punto de inflamación (°F): 131 °F
• Punto de inflamación (°C): 55 °C
• Punto de ebullición (°C): 184°C
• Punto de fusión (°C): -43°C(lit.)
• Peso molecular: 134.220 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 66.000
• 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. Ziqi Sun, Meiling Qi.  (2023)  End-modification of poly(ether-carbonate) copolymer by adamantane cages: An effective approach for improving the selectivity of gas chromatographic stationary phases.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36990034] [10.1016/j.chroma.2023.463940]

2. Ziqi Sun, Meiling Qi.  (2022)  High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36166885] [10.1016/j.chroma.2022.463493]

3. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]

4. Yonglin Lei, Yao Xiang.  (2020)  A Room Temperature Curing Agent for Hydroxyl-Terminated Polybutadiene: Synthesis of a Novel Nitrile N-Oxide and Curing Properties of the Polymer Network.  POLYMER SCIENCE SERIES B,  61  (6): (785-794).  [PMID:] [10.1134/S1560090419060137]

5. Zhiping Cai, Fang Ouyang, Jianwei Su, Xingrui Zhang, Chenglin Liu, Yunli Xiao, Jianping Zhang, Feng Ge.  (2020)  Attraction of adult Harmonia axyridis to volatiles of the insectary plant Cnidium monnieri.  BIOLOGICAL CONTROL,      [PMID:] [10.1016/j.biocontrol.2020.104189]

6. Weichuan Xu, Hong Huang, Lingling Bi, Haimei Xu, Zhichao Miao, Mei Wu.  (2024)  One-pot fabrication of vanadium-doped ordered mesoporous zirconium oxophosphate catalyst for the synthesis of carbonyl compounds.  NEW JOURNAL OF CHEMISTRY,  48  (24): (10820-10829).  [PMID:] [10.1039/D4NJ01661K]

7. Wei Chen, Pengfei Wang, Weike Jia, Huidan Zeng.  (2024)  Tributylphosphine oxide-assisted synthesis of plate-like silicalite-1 zeolite for boosting separation of xylene isomers.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2024.113285]

8. Guo-Shan Zhu, Ren-Jie Hui, Jun Hu.  (2025)  Microdroplet Stabilization Enabled Direct Mass Spectrometric Identification of Electrogenerated Transient Carbocation Intermediates.  Advanced Science,      [PMID:41355586] [10.1002/advs.202518157]