Terpinyl propionate
TL;DR: Terpinyl propionate (CAS 80-27-3) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 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 propanoate
Also Known As: Terpinyl propionate, Terpineol propionate, Terpineol, propanoate, alpha-Terpinyl propionate, p-Menthanyl propionate
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
| Boiling Point | 274.00 to 275.00 °C. @ 760.00 mm Hg |
| Density | 0.947-0.952 |
| Solubility | soluble in glycerol; slightly soluble in propylene glycol; insoluble in water; miscible with alcohol, chloroform, ether, most fixed oils |
| Refractive Index | 1.462-1.468 |
Chemical Identifiers
| CAS Number | 80-27-3 |
|---|---|
| SMILES | CCC(=O)OC(C)(C)C1CCC(=CC1)C |
| InChIKey | CMKQOKAXUWQAHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Terpinyl propionate (CAS 80-27-3), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl propanoate.
Chemical Property Profile of Terpinyl propionate
Property Insights of Terpinyl propionate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terpinyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Terpinyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terpinyl propionate 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 Terpinyl propionate?
The CAS number of Terpinyl propionate is 80-27-3.
What is the molecular formula of Terpinyl propionate?
The molecular formula of Terpinyl propionate is C13H22O2.
What is the molecular weight of Terpinyl propionate?
The molecular weight of Terpinyl propionate is 210.16 g/mol.
Where can I buy Terpinyl propionate?
You can request a quote for Terpinyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terpinyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Terpinyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.