2-(Phenylmethylene)octanal
TL;DR: 2-(Phenylmethylene)octanal (CAS 101-86-0) is a chemical compound with molecular formula C15H20O and molecular weight 216.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylideneoctanal
Also Known As: 2-Benzylideneoctanal, alpha-Hexylcinnamaldehyde, hexyl cinnamal, Octanal, 2-(phenylmethylene)-, 2-(Phenylmethylene)octanal
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H20O |
| Molecular Weight | 216.15141 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.15141 Da |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
| SMILES | CCCCCCC(=CC1=CC=CC=C1)C=O |
| InChIKey | GUUHFMWKWLOQMM-UHFFFAOYSA-N |
Product Description
Applications: 2-(Phenylmethylene)octanal is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-(Phenylmethylene)octanal (CAS 101-86-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-(Phenylmethylene)octanal is a pharmaceutical intermediate identified by CAS number 101-86-0 and the molecular formula C15H20O and a molecular weight of 216.15 g/mol. It is also known as 2-Benzylideneoctanal and alpha-Hexylcinnamaldehyde.
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-(Phenylmethylene)octanal
Property Insights of 2-(Phenylmethylene)octanal
The XLogP value of 4.8 indicates that 2-(Phenylmethylene)octanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(Phenylmethylene)octanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylmethylene)octanal 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 2-(Phenylmethylene)octanal?
The CAS number of 2-(Phenylmethylene)octanal is 101-86-0.
What is the molecular formula of 2-(Phenylmethylene)octanal?
The molecular formula of 2-(Phenylmethylene)octanal is C15H20O.
What is the molecular weight of 2-(Phenylmethylene)octanal?
The molecular weight of 2-(Phenylmethylene)octanal is 216.15141 g/mol.
What are the applications of 2-(Phenylmethylene)octanal?
2-(Phenylmethylene)octanal is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-(Phenylmethylene)octanal (CAS 101-86-0) with custom synthesis...
Where can I buy 2-(Phenylmethylene)octanal?
You can request a quote for 2-(Phenylmethylene)octanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Phenylmethylene)octanal?
Yes, CoreyChem provides custom synthesis services for 2-(Phenylmethylene)octanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.