Heptanal
TL;DR: Heptanal (CAS 111-71-7) is a chemical compound with molecular formula C7H14O and molecular weight 114.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptanal
Also Known As: Heptanal, Heptaldehyde, Enanthaldehyde, n-Heptaldehyde, Enanthal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O |
| Molecular Weight | 114.10446 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 114.10446 Da |
| Heavy Atoms | 8 |
| Complexity | 50.0 |
| Purity | ≥95% |
| Melting Point | -45 °F (NTP, 1992) |
| Boiling Point | 307 °F at 760 mmHg (NTP, 1992) |
| Density | 0.8495 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 95 °F (NTP, 1992) |
| Vapor Pressure | 3 mmHg at 77 °F ; 5 mmHg at 90.9 °F (NTP, 1992) |
| Refractive Index | Index of refraction 1.4113 at 20 C/D |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCCCCCC=O |
| InChIKey | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
Product Description
Applications: Heptanal 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. Typical specifications: commercial lots are supplied at ≥95%. CoreyChem supplies Heptanal (CAS 111-71-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Heptanal is a heterocyclic building block identified by CAS number 111-71-7 and the molecular formula C7H14O and a molecular weight of 114.1 g/mol. Physically, the compound has a density of 0.8495 at 68 °F (NTP, 1992) - 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 Heptanal and Heptaldehyde.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H2120, H226, H315, H412
Chemical Property Profile of Heptanal
Property Insights of Heptanal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanal. With a topological polar surface area (TPSA) of 17.1 Ų, Heptanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanal has 0 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 Heptanal?
The CAS number of Heptanal is 111-71-7.
What is the molecular formula of Heptanal?
The molecular formula of Heptanal is C7H14O.
What is the molecular weight of Heptanal?
The molecular weight of Heptanal is 114.10446 g/mol.
What are the applications of Heptanal?
Heptanal 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. Typical specifications: commercial lots are...
Where can I buy Heptanal?
You can request a quote for Heptanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptanal?
Yes, CoreyChem provides custom synthesis services for Heptanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.