Heptyl acetate
TL;DR: Heptyl acetate (CAS 112-06-1) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptyl acetate
Also Known As: Heptyl acetate, Heptanyl acetate, 1-Heptyl acetate, Acetate C-7, n-Heptyl ethanoate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | -58.4 °F (USCG, 1999) |
| Boiling Point | 378.5 °F at 760 mmHg (USCG, 1999) |
| Density | 0.875 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 154 °F (USCG, 1999) |
| Refractive Index | 1.411-1.417 |
| Solubility | soluble in alcohol, ether; insoluble in water |
| SMILES | CCCCCCCOC(=O)C |
| InChIKey | ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
Product Description
Applications: Heptyl acetate 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 Heptyl acetate (CAS 112-06-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Heptyl acetate (CAS 112-06-1) is a heterocyclic building block with the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. Key physical properties include a density of 0.875 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: soluble in alcohol, ether; insoluble in water. It is also known as Heptyl acetate and Heptanyl acetate.
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 Heptyl acetate
Property Insights of Heptyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Heptyl acetate?
The CAS number of Heptyl acetate is 112-06-1.
What is the molecular formula of Heptyl acetate?
The molecular formula of Heptyl acetate is C9H18O2.
What is the molecular weight of Heptyl acetate?
The molecular weight of Heptyl acetate is 158.13068 g/mol.
What are the applications of Heptyl acetate?
Heptyl acetate 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 Heptyl acetate (CAS 112-06-1) with...
Where can I buy Heptyl acetate?
You can request a quote for Heptyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptyl acetate?
Yes, CoreyChem provides custom synthesis services for Heptyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.