3-Isopropylhexyl acetate
TL;DR: 3-Isopropylhexyl acetate (CAS 108419-33-6) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-propan-2-ylhexyl acetate
Also Known As: 3-Isopropylhexyl acetate, 3-propan-2-ylhexyl acetate, 3-(propan-2-yl)hexyl acetate, Acetic acid, C8-10-branched alkyl esters, C9-rich, Acetic acid,alkyl(c8 to c10)esters mixture
Technical Specifications
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16199 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 Da |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
| SMILES | CCCC(CCOC(=O)C)C(C)C |
| InChIKey | KKCGMSRNPUOKBU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isopropylhexyl acetate
Property Insights of 3-Isopropylhexyl acetate
The XLogP value of 3.7 indicates that 3-Isopropylhexyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Isopropylhexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropylhexyl 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 3-Isopropylhexyl acetate?
The CAS number of 3-Isopropylhexyl acetate is 108419-33-6.
What is the molecular formula of 3-Isopropylhexyl acetate?
The molecular formula of 3-Isopropylhexyl acetate is C11H22O2.
What is the molecular weight of 3-Isopropylhexyl acetate?
The molecular weight of 3-Isopropylhexyl acetate is 186.16199 g/mol.
Where can I buy 3-Isopropylhexyl acetate?
You can request a quote for 3-Isopropylhexyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isopropylhexyl acetate?
Yes, CoreyChem provides custom synthesis services for 3-Isopropylhexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.