2,2-Dimethylbutane - Standard for GC, ≥99.5%(GC) , CAS No.75-83-2

CAS: 75-83-2 Cat. No.: D105773 Formula: C₆H₁₄ Peso molecolare: 86.18 Beilstein Registry Number: 1730736 Numero EC: 200-906-8

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

Synonyms

2,2-DIMETHYLBUTANE|Neohexane|75-83-2|Butane, 2,2-dimethyl-|2,2-Dimethyl-butane|DTXSID4025111|07L56L3MP2|NSC-74126|HSDB 75|CCRIS 6019|EINECS 200-906-8|NSC 74126|UNII-07L56L3MP2|AI3-16043|Butane,2-dimethyl-|,2-DIMETHYLBUTANE|2,2-Dimethylbutane, 99%|(CH3)3CC

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

2,2-DIMETHYLBUTANE | Neohexane | 75-83-2 | Butane, 2,2-dimethyl- | 2,2-Dimethyl-butane | DTXSID4025111 | 07L56L3MP2 | NSC-74126 | HSDB 75 | CCRIS 6019 | EINECS 200-906-8 | NSC 74126 | UNII-07L56L3MP2 | AI3-16043 | Butane,2-dimethyl- | ,2-DIMETHYLBUTANE | 2,2-Dimethylbutane, 99% | (CH3)3CC

Specifiche e purezza

Standard for GC, ≥99.5%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Grado

Standard for GC

Purezza

≥99.5%(GC)

Nomi e identificatori

• Pubchem Sid: 508808578
• Sorrisi canonici: CCC(C)(C)C
• IUPAC Name: 2,2-dimethylbutane
• InChIKey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
• INCHI: 1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
• Isomeri SMILES: CCC(C)(C)C
• WGK Germania: 3
• Numero UN: 1208
• Gruppo di imballaggio: II
• Peso molecolare: 86.18
• Beilstein: 1730736
• Reaxy-Rn: 1730736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730736&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• External Descriptors: Not available

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

Obiettivi associati (umani)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.3675-1.3695
• Punto di infiammabilità (°F): -20.2 °F
• Punto di infiammabilità (°C): -48.℃
• Punto di ebollizione (°C): 50°C
• Punto di fusione (°C): -100 °C
• Peso molecolare: 86.180 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 86.1096 Da
• Monoisotopic Mass: 86.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.800
• 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

Riferimenti

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2. Wenhe Yang, Xue Yang, Yuxuan Wang, Rujing Hou, Qihan Gong, Yichang Pan.  (2022)  Pervaporation separation of C6 alkane isomers by Al-bttotb membrane.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2022.120916]

3. Ruijuan Duan, Meiling Qi.  (2021)  Amphiphilic triblock copolymer as the gas chromatographic stationary phase with high-resolution performance towards a wide range of isomers and the components of lemon essential oil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34666270] [10.1016/j.chroma.2021.462611]

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7. Jing-ran Yu, Pan-pan Zhang, Jia-yu Ding, Yue-bin Liu, Wei-hai Lin, Wei Shao, Jia-jia He, Qihan Gong, Ming Xue.  (2024)  UiO-66/PIM-1 Mixed-Matrix Membrane for Hexane Isomer Separation.  INORGANIC CHEMISTRY,      [PMID:38957956] [10.1021/acs.inorgchem.4c01740]

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9. Qian Yuan, Meiling Qi.  (2020)  Triptycene-based dicationic guanidinium ionic liquid: A novel stationary phase of high selectivity towards a wide range of positional and structural isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32303345] [10.1016/j.chroma.2020.461084]