2-Methyl-1-pentanol
TL;DR: 2-Methyl-1-pentanol (CAS 105-30-6) is a chemical compound with molecular formula C6H14O and molecular weight 102.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpentan-1-ol
Also Known As: 2-METHYL-1-PENTANOL, 2-Methylpentan-1-ol, Isohexyl alcohol, 1-Pentanol, 2-methyl-, 2-Methylpentanol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O |
| Molecular Weight | 102.10446 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.10446 Da |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
| Boiling Point | 148 °C @ 760 MM HG |
| Density | 0.8263 @ 20 °C/4 °C |
| Flash Point | 54 °C |
| Vapor Pressure | 1.92 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4182 @ 20 °C/D; SADTLER REFERENCE NUMBER: 10607 (IR, PRISM) |
| Solubility | SOL IN ALCOHOL; ETHER; ACETONE |
| SMILES | CCCC(C)CO |
| InChIKey | PFNHSEQQEPMLNI-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-1-pentanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
2-Methyl-1-pentanol is a heterocyclic building block identified by CAS number 105-30-6 and the molecular formula C6H14O and a molecular weight of 102.1 g/mol. Physically, the compound has a density of 0.8263 @ 20 °C/4 °C g/cm³, a solubility: SOL IN ALCOHOL; ETHER; ACETONE. Synonyms include 2-METHYL-1-PENTANOL and 2-Methylpentan-1-ol.
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-Methyl-1-pentanol
Property Insights of 2-Methyl-1-pentanol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-pentanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Methyl-1-pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-pentanol has 1 hydrogen bond donor(s) and 1 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-Methyl-1-pentanol?
The CAS number of 2-Methyl-1-pentanol is 105-30-6.
What is the molecular formula of 2-Methyl-1-pentanol?
The molecular formula of 2-Methyl-1-pentanol is C6H14O.
What is the molecular weight of 2-Methyl-1-pentanol?
The molecular weight of 2-Methyl-1-pentanol is 102.10446 g/mol.
What are the applications of 2-Methyl-1-pentanol?
2-Methyl-1-pentanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 2-Methyl-1-pentanol?
You can request a quote for 2-Methyl-1-pentanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-1-pentanol?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-1-pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.