2,3-Dimethylbutane
TL;DR: 2,3-Dimethylbutane (CAS 79-29-8) is a chemical compound with molecular formula C6H14 and molecular weight 86.10955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dimethylbutane
Also Known As: 2,3-DIMETHYLBUTANE, Diisopropyl, Biisopropyl, Butane, 2,3-dimethyl-, diisopropyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14 |
| Molecular Weight | 86.10955 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.10955 Da |
| Heavy Atoms | 6 |
| Complexity | 21.0 |
| Melting Point | -199.3 °F (NTP, 1992) |
| Boiling Point | 136.4 °F at 760 mmHg (NTP, 1992) |
| Density | 0.6616 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | -20 °F (NTP, 1992) |
| Vapor Pressure | 200 mmHg at 70 °F ; 400 mmHg at 102 °F (NTP, 1992) |
| Refractive Index | SADTLER REF NUMBER: 687 (IR, PRISM); INDEX OF REFRACTION: 1.3750 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 74.3 °F (NTP, 1992) |
| SMILES | CC(C)C(C)C |
| InChIKey | ZFFMLCVRJBZUDZ-UHFFFAOYSA-N |
Product Description
Applications: 2,3-Dimethylbutane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,3-Dimethylbutane (CAS 79-29-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 2,3-Dimethylbutane (CAS 79-29-8) has the molecular formula C6H14 and a molecular weight of 86.11 g/mol. Reported properties include a density of 0.6616 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 74.3 °F (NTP, 1992). It is also known as 2,3-DIMETHYLBUTANE and Diisopropyl.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,3-Dimethylbutane
Property Insights of 2,3-Dimethylbutane
The XLogP value of 3.4 indicates that 2,3-Dimethylbutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3-Dimethylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylbutane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Dimethylbutane?
The CAS number of 2,3-Dimethylbutane is 79-29-8.
What is the molecular formula of 2,3-Dimethylbutane?
The molecular formula of 2,3-Dimethylbutane is C6H14.
What is the molecular weight of 2,3-Dimethylbutane?
The molecular weight of 2,3-Dimethylbutane is 86.10955 g/mol.
What are the applications of 2,3-Dimethylbutane?
2,3-Dimethylbutane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,3-Dimethylbutane (CAS 79-29-8)...
Where can I buy 2,3-Dimethylbutane?
You can request a quote for 2,3-Dimethylbutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dimethylbutane?
Yes, CoreyChem provides custom synthesis services for 2,3-Dimethylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.