Benzeneacetic acid, 3,7-dimethyloctyl ester
TL;DR: Benzeneacetic acid, 3,7-dimethyloctyl ester (CAS 67874-77-5) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyloctyl 2-phenylacetate
Also Known As: 3,7-Dimethyloctyl phenylacetate, 3,7-dimethyloctyl 2-phenylacetate, 3,7-Dimethyloctanyl phenylacetate, Benzeneacetic acid, 3,7-dimethyloctyl ester, Benzeneacetic acid 3,7-dimethyloctyl ester
Technical Specifications
| Molecular Formula | C18H28O2 |
| Molecular Weight | 276.20892 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 276.20892 Da |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
| SMILES | CC(C)CCCC(C)CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | ZLNHKBABSKKKMS-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 3,7-dimethyloctyl ester
Property Insights of Benzeneacetic acid, 3,7-dimethyloctyl ester
The XLogP value of 6.0 indicates that Benzeneacetic acid, 3,7-dimethyloctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 3,7-dimethyloctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3,7-dimethyloctyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 3,7-dimethyloctyl ester?
The CAS number of Benzeneacetic acid, 3,7-dimethyloctyl ester is 67874-77-5.
What is the molecular formula of Benzeneacetic acid, 3,7-dimethyloctyl ester?
The molecular formula of Benzeneacetic acid, 3,7-dimethyloctyl ester is C18H28O2.
What is the molecular weight of Benzeneacetic acid, 3,7-dimethyloctyl ester?
The molecular weight of Benzeneacetic acid, 3,7-dimethyloctyl ester is 276.20892 g/mol.
Where can I buy Benzeneacetic acid, 3,7-dimethyloctyl ester?
You can request a quote for Benzeneacetic acid, 3,7-dimethyloctyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 3,7-dimethyloctyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 3,7-dimethyloctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.