Pentane
TL;DR: Pentane (CAS 109-66-0) 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.
pentane
Also Known As: PENTANE, n-Pentane, Pentan, Skellysolve A, Pentanen
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 | 3.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 72.0939 Da |
| Heavy Atoms | 5 |
| Complexity | 7.0 |
| Melting Point | -202 °F (NTP, 1992) |
| Boiling Point | 97 °F at 760 mmHg (NTP, 1992) |
| Density | 0.626 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | -57 °F (NTP, 1992) |
| Vapor Pressure | 400 mmHg at 65.3 °F ; 426 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.3575 at 20 °C/D |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCCCC |
| InChIKey | OFBQJSOFQDEBGM-UHFFFAOYSA-N |
Product Description
Applications: Pentane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentane (CAS 109-66-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Pentane is a heterocyclic building block identified by CAS number 109-66-0 and the molecular formula C5H12 and a molecular weight of 72.09 g/mol. Physically, the compound has a density of 0.626 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). It is also known as PENTANE and n-Pentane.
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 Pentane
Property Insights of Pentane
The XLogP value of 3.4 indicates that Pentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentane 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 Pentane?
The CAS number of Pentane is 109-66-0.
What is the molecular formula of Pentane?
The molecular formula of Pentane is C5H12.
What is the molecular weight of Pentane?
The molecular weight of Pentane is 72.0939 g/mol.
What are the applications of Pentane?
Pentane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentane (CAS 109-66-0) with custom synthesis...
Where can I buy Pentane?
You can request a quote for Pentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentane?
Yes, CoreyChem provides custom synthesis services for Pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.