Isopentane
TL;DR: Isopentane (CAS 78-78-4) is a chemical compound with molecular formula C5H12 and molecular weight 72.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbutane
Also Known As: 2-Methylbutane, Isoamylhydride, iso-Pentane, methylbutane, Butane, 2-methyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12 |
| Molecular Weight | 72.0939 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.0939 Da |
| Heavy Atoms | 5 |
| Complexity | 14.0 |
| Melting Point | -255.8 °F (NTP, 1992) |
| Boiling Point | 82 °F at 760 mmHg (NTP, 1992) |
| Density | 0.62 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | -70 °F (NTP, 1992) |
| Vapor Pressure | 400 mmHg at 50.9 °F ; 595 mmHg at 70.0 °F (NTP, 1992) |
| Refractive Index | Index of refraction = 1.3537 at 20 °C/D |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CCC(C)C |
| InChIKey | QWTDNUCVQCZILF-UHFFFAOYSA-N |
Product Description
Applications: Isopentane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Isopentane (CAS 78-78-4) has the molecular formula C5H12 and a molecular weight of 72.09 g/mol. Reported properties include a density of 0.62 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). Synonyms include 2-Methylbutane and Isoamylhydride.
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 Isopentane
Property Insights of Isopentane
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopentane. With a topological polar surface area (TPSA) of 0.0 Ų, Isopentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentane 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 Isopentane?
The CAS number of Isopentane is 78-78-4.
What is the molecular formula of Isopentane?
The molecular formula of Isopentane is C5H12.
What is the molecular weight of Isopentane?
The molecular weight of Isopentane is 72.0939 g/mol.
What are the applications of Isopentane?
Isopentane is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isopentane?
You can request a quote for Isopentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopentane?
Yes, CoreyChem provides custom synthesis services for Isopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.