alpha-Terpinyl acetate
TL;DR: alpha-Terpinyl acetate (CAS 80-26-2) 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.
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
Also Known As: Terpinyl acetate, ALPHA-TERPINYL ACETATE, Terpineol, acetate, Terpineol acetate, alpha-Terpineol acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.4 |
| 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 | 251.0 |
| Boiling Point | 115.00 °C. @ 2.00 mm Hg |
Chemical Identifiers
| CAS Number | 80-26-2 |
|---|---|
| SMILES | CC1=CCC(CC1)C(C)(C)OC(=O)C |
| InChIKey | IGODOXYLBBXFDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Terpinyl acetate (CAS 80-26-2), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate.
Chemical Property Profile of alpha-Terpinyl acetate
Property Insights of alpha-Terpinyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Terpinyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, alpha-Terpinyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Terpinyl 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 alpha-Terpinyl acetate?
The CAS number of alpha-Terpinyl acetate is 80-26-2.
What is the molecular formula of alpha-Terpinyl acetate?
The molecular formula of alpha-Terpinyl acetate is C12H20O2.
What is the molecular weight of alpha-Terpinyl acetate?
The molecular weight of alpha-Terpinyl acetate is 196.15 g/mol.
Where can I buy alpha-Terpinyl acetate?
You can request a quote for alpha-Terpinyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Terpinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Terpinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.