Carvyl acetate
TL;DR: Carvyl acetate (CAS 97-42-7) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate
Also Known As: CARVYL ACETATE, Carveol acetate, l-Carvyl acetate, (-)-Carvyl acetate, cis-Carvyl acetate
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
| Boiling Point | 171 to 78.9 °C at 0.1 mmHg |
| Density | 0.976 - Less dense than water; will float |
| Solubility | slightly soluble in water; soluble in alcohol and most fixed oils |
| Flash Point | 97.2 °C |
| Refractive Index | 1.473-1.479 |
Chemical Identifiers
| CAS Number | 97-42-7 |
|---|---|
| SMILES | CC1=CCC(CC1OC(=O)C)C(=C)C |
| InChIKey | YTHRBOFHFYZBRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carvyl acetate (CAS 97-42-7), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate.
Chemical Property Profile of Carvyl acetate
Property Insights of Carvyl acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carvyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Carvyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carvyl 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 Carvyl acetate?
The CAS number of Carvyl acetate is 97-42-7.
What is the molecular formula of Carvyl acetate?
The molecular formula of Carvyl acetate is C12H18O2.
What is the molecular weight of Carvyl acetate?
The molecular weight of Carvyl acetate is 194.13 g/mol.
Where can I buy Carvyl acetate?
You can request a quote for Carvyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carvyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Carvyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.