(+)-Linalyl acetate
TL;DR: (+)-Linalyl acetate (CAS 16509-46-9) 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.
[(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate
Also Known As: (+)-linalyl acetate, (s)-linalyl acetate, Coriandrol acetate, Linalyl acetate, (+)-, (R)-Linalyl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.2406 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 236.70628 |
Chemical Identifiers
| CAS Number | 16509-46-9 |
|---|---|
| SMILES | CC(=CCC[C@@](C)(C=C)OC(=O)C)C |
Product Overview
(+)-Linalyl acetate (CAS 16509-46-9), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate.
Chemical Property Profile of (+)-Linalyl acetate
Property Insights of (+)-Linalyl acetate
The XLogP value of 3.2406 indicates that (+)-Linalyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (+)-Linalyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Linalyl 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 (+)-Linalyl acetate?
The CAS number of (+)-Linalyl acetate is 16509-46-9.
What is the molecular formula of (+)-Linalyl acetate?
The molecular formula of (+)-Linalyl acetate is C12H20O2.
What is the molecular weight of (+)-Linalyl acetate?
The molecular weight of (+)-Linalyl acetate is 196.15 g/mol.
Where can I buy (+)-Linalyl acetate?
You can request a quote for (+)-Linalyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Linalyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (+)-Linalyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.