Myrcenylacetate
TL;DR: Myrcenylacetate (CAS 1118-39-4) 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-methyl-6-methylideneoct-7-en-2-yl) acetate
Also Known As: Myrcenyl acetate, Neobergamate, bergamyl acetate, myrcenylacetate, Pseudo linalyl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 1118-39-4 |
|---|---|
| SMILES | CC(=O)OC(C)(C)CCCC(=C)C=C |
| InChIKey | DCXXKSXLKWAZNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Myrcenylacetate (CAS 1118-39-4), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (2-methyl-6-methylideneoct-7-en-2-yl) acetate.
Chemical Property Profile of Myrcenylacetate
Property Insights of Myrcenylacetate
The XLogP value of 3.6 indicates that Myrcenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Myrcenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Myrcenylacetate 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 Myrcenylacetate?
The CAS number of Myrcenylacetate is 1118-39-4.
What is the molecular formula of Myrcenylacetate?
The molecular formula of Myrcenylacetate is C12H20O2.
What is the molecular weight of Myrcenylacetate?
The molecular weight of Myrcenylacetate is 196.15 g/mol.
Where can I buy Myrcenylacetate?
You can request a quote for Myrcenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myrcenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Myrcenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.