Terpinyl formate
TL;DR: Terpinyl formate (CAS 2153-26-6) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 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 formate
Also Known As: Terpinyl formate, TERPINYLFORMATE, alpha-Terpinyl formate, alpha-Terpineol formate, a-Terpineol formate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 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 | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
| Boiling Point | 213.00 to 225.00 °C. @ 760.00 mm Hg |
| Density | 0.987-0.993 (15.5°) |
| Solubility | very slightly |
| Refractive Index | 1.467-1.473 |
Chemical Identifiers
| CAS Number | 2153-26-6 |
|---|---|
| SMILES | CC1=CCC(CC1)C(C)(C)OC=O |
| InChIKey | IPYLQIQMGUZFCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Terpinyl formate (CAS 2153-26-6), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate.
Chemical Property Profile of Terpinyl formate
Property Insights of Terpinyl formate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terpinyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, Terpinyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terpinyl formate 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 formate?
The CAS number of Terpinyl formate is 2153-26-6.
What is the molecular formula of Terpinyl formate?
The molecular formula of Terpinyl formate is C11H18O2.
What is the molecular weight of Terpinyl formate?
The molecular weight of Terpinyl formate is 182.13 g/mol.
Where can I buy Terpinyl formate?
You can request a quote for Terpinyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terpinyl formate?
Yes, KEHONG BIO provides custom synthesis services for Terpinyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.