Terpinene 4-acetate
TL;DR: Terpinene 4-acetate (CAS 4821-04-9) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate
Also Known As: Terpinene 4-acetate, 4-Terpinyl acetate, 4-Terpineol acetate, 4-TERPINENYL ACETATE, terpinen-4-ol acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 4821-04-9 |
|---|---|
| SMILES | CC1=CCC(CC1)(C(C)C)OC(=O)C |
| InChIKey | BFCBRSFYYLSTAA-UHFFFAOYSA-N |
Product Overview
Terpinene 4-acetate (CAS 4821-04-9), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate.
Chemical Property Profile of Terpinene 4-acetate
Property Insights of Terpinene 4-acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terpinene 4-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Terpinene 4-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terpinene 4-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 Terpinene 4-acetate?
The CAS number of Terpinene 4-acetate is 4821-04-9.
What is the molecular formula of Terpinene 4-acetate?
The molecular formula of Terpinene 4-acetate is C12H20O2.
What is the molecular weight of Terpinene 4-acetate?
The molecular weight of Terpinene 4-acetate is 196.15 g/mol.
Where can I buy Terpinene 4-acetate?
You can request a quote for Terpinene 4-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terpinene 4-acetate?
Yes, KEHONG BIO provides custom synthesis services for Terpinene 4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.