2,3-Dimethylpentane - ≥99% , CAS No.565-59-3

CAS: 565-59-3 Cat. No.: D465563 Molecular Weight: 100.21 Beilstein Registry Number: 1(2)120 EC Number: 209-280-0

GRADE & PURITY ≥99%

Synonyms

LS-13369 | D89715 | 8HPD5L8920 | DTXSID20862203 | Q2813780 | EINECS 209-280-0 | D0768 | (+/-)-2,3-DIMETHYLPENTANE | Pentane, 2,3-dimethyl- | Pentane, 2,3-dimethyl-; 2,3-Dimethylpentane; (+/-)-2,3-Dimethylpentane; 3,4-Dimethylpentane; NSC 23696 | 2,3-Dimet

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

LS-13369 | D89715 | 8HPD5L8920 | DTXSID20862203 | Q2813780 | EINECS 209-280-0 | D0768 | (+/-)-2, 3-DIMETHYLPENTANE | Pentane, 2, 3-dimethyl- | Pentane, 2, 3-dimethyl-; 2, 3-Dimethylpentane; (+/-)-2, 3-Dimethylpentane; 3, 4-Dimethylpentane; NSC 23696 | 2, 3-Dimet

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504752091
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752091
• Canonical Smiles: CCC(C)C(C)C
• IUPAC Name: 2,3-dimethylpentane
• InChIKey: WGECXQBGLLYSFP-UHFFFAOYSA-N
• INCHI: 1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3
• Isomeric SMILES: CCC(C)C(C)C
• RTECS: SA0428000
• Molecular Weight: 100.21
• Beilstein: 1(2)120
• Reaxy-Rn: 1718734
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718734&ln=

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: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.392
• Flash Point(°C): -6℃
• Boil Point(°C): 89°C
• Melt Point(°C): -135 °C
• Molecular Weight: 100.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. 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. 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]

3. Yinhui Yang, Zhengfeng Chang, Xiaohong Yang, Meiling Qi, Jinliang Wang.  (2018)  Selectivity of hexaphenylbenzene-based hydrocarbon stationary phase with propeller-like conformation for aromatic and aliphatic isomers.  ANALYTICA CHIMICA ACTA,      [PMID:29534806] [10.1016/j.aca.2018.01.048]

4. Wenna Liu, Wanglu Jia, Qiang Wang, Jian Chen, Jinbu Li, Ping’an Peng.  (2024)  Influencing factors of hydrogen isotopic fractionation of light hydrocarbons during evaporation and implications.  ORGANIC GEOCHEMISTRY,      [PMID:] [10.1016/j.orggeochem.2024.104894]

5. 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]

6. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons.  ELECTROPHORESIS,      [PMID:30942493] [10.1002/elps.201800540]

7. Xue Xiong, Meiling Qi.  (2018)  Hexagonal boron nitride stationary phase for gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30100014] [10.1016/j.chroma.2018.07.008]

8. 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]