Heptanol
TL;DR: Heptanol (CAS 111-70-6) is a chemical compound with molecular formula C7H16O and molecular weight 116.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptan-1-ol
Also Known As: 1-HEPTANOL, Heptan-1-ol, Heptyl alcohol, Heptanol, n-Heptanol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H16O |
| Molecular Weight | 116.12012 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 116.12012 Da |
| Heavy Atoms | 8 |
| Complexity | 35.0 |
| Melting Point | -29 °F (USCG, 1999) |
| Boiling Point | 349 °F at 760 mmHg (USCG, 1999) |
| Density | 0.822 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 170 °F (USCG, 1999) |
| Vapor Pressure | 0.21 [mmHg] |
| Refractive Index | Index of refraction: 1.4249 at 20 degC/D |
| Solubility | Miscible with alcohol, ether |
| SMILES | CCCCCCCO |
| InChIKey | BBMCTIGTTCKYKF-UHFFFAOYSA-N |
Product Description
Applications: Heptanol 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Heptanol (CAS 111-70-6) is a heterocyclic building block with the molecular formula C7H16O and a molecular weight of 116.12 g/mol. Key physical properties include a density of 0.822 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Miscible with alcohol, ether. Synonyms include 1-HEPTANOL and Heptan-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 Heptanol
Property Insights of Heptanol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanol. With a topological polar surface area (TPSA) of 20.2 Ų, Heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanol 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 Heptanol?
The CAS number of Heptanol is 111-70-6.
What is the molecular formula of Heptanol?
The molecular formula of Heptanol is C7H16O.
What is the molecular weight of Heptanol?
The molecular weight of Heptanol is 116.12012 g/mol.
What are the applications of Heptanol?
Heptanol 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. Available from CoreyChem as both catalog item and...
Where can I buy Heptanol?
You can request a quote for Heptanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptanol?
Yes, CoreyChem provides custom synthesis services for Heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.