(4-Methyl-3-propylhexyl) acetate
TL;DR: (4-Methyl-3-propylhexyl) acetate (CAS 68478-36-4) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-3-propylhexyl) acetate
Also Known As: Isodecyl acetate, Acetic acid, decyl ester, branched, 4-methyl-3-propylhexyl acetate, (4-methyl-3-propylhexyl) acetate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 68478-36-4 |
|---|---|
| SMILES | CCCC(CCOC(=O)C)C(C)CC |
| InChIKey | YBWGMVNKXYDKBJ-UHFFFAOYSA-N |
Product Overview
(4-Methyl-3-propylhexyl) acetate (CAS 68478-36-4), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: (4-methyl-3-propylhexyl) acetate.
Chemical Property Profile of (4-Methyl-3-propylhexyl) acetate
Property Insights of (4-Methyl-3-propylhexyl) acetate
The XLogP value of 4.2 indicates that (4-Methyl-3-propylhexyl) 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, (4-Methyl-3-propylhexyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methyl-3-propylhexyl) 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
Frequently Asked Questions
What is the CAS number of (4-Methyl-3-propylhexyl) acetate?
The CAS number of (4-Methyl-3-propylhexyl) acetate is 68478-36-4.
What is the molecular formula of (4-Methyl-3-propylhexyl) acetate?
The molecular formula of (4-Methyl-3-propylhexyl) acetate is C12H24O2.
What is the molecular weight of (4-Methyl-3-propylhexyl) acetate?
The molecular weight of (4-Methyl-3-propylhexyl) acetate is 200.18 g/mol.
Where can I buy (4-Methyl-3-propylhexyl) acetate?
You can request a quote for (4-Methyl-3-propylhexyl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-3-propylhexyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-3-propylhexyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.