Tetrahydrolinalyl acetate
TL;DR: Tetrahydrolinalyl acetate (CAS 20780-48-7) 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.
3,7-dimethyloctan-3-yl acetate
Also Known As: Tetrahydrolinalyl acetate, 3,7-Dimethyloctan-3-yl acetate, Tetrahydro linalyl acetate, Tetrahydro lavandulyl acetate, 3-Octanol, 3,7-dimethyl-, acetate
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 20780-48-7 |
|---|---|
| SMILES | CCC(C)(CCCC(C)C)OC(=O)C |
| InChIKey | RBKRCARRXLFUGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydrolinalyl acetate (CAS 20780-48-7), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 3,7-dimethyloctan-3-yl acetate.
Chemical Property Profile of Tetrahydrolinalyl acetate
Property Insights of Tetrahydrolinalyl acetate
The XLogP value of 3.8 indicates that Tetrahydrolinalyl 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, Tetrahydrolinalyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydrolinalyl 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 Tetrahydrolinalyl acetate?
The CAS number of Tetrahydrolinalyl acetate is 20780-48-7.
What is the molecular formula of Tetrahydrolinalyl acetate?
The molecular formula of Tetrahydrolinalyl acetate is C12H24O2.
What is the molecular weight of Tetrahydrolinalyl acetate?
The molecular weight of Tetrahydrolinalyl acetate is 200.18 g/mol.
Where can I buy Tetrahydrolinalyl acetate?
You can request a quote for Tetrahydrolinalyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrolinalyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrolinalyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.