Citronellol acetate, (S)-
TL;DR: Citronellol acetate, (S)- (CAS 67601-05-2) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3,7-dimethyloct-6-enyl] acetate
Also Known As: Citronellyl acetate, (S)-citronellol acetate, Citronellol acetate, (S)-, (s)-citronellyl acetate, (-)-Citronellol acetate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3221 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 190.49841 |
Chemical Identifiers
| CAS Number | 67601-05-2 |
|---|---|
| SMILES | C[C@@H](CCC=C(C)C)CCOC(=O)C |
Product Overview
Citronellol acetate, (S)- (CAS 67601-05-2), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: [(3S)-3,7-dimethyloct-6-enyl] acetate.
Chemical Property Profile of Citronellol acetate, (S)-
Property Insights of Citronellol acetate, (S)-
The XLogP value of 3.3221 indicates that Citronellol acetate, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Citronellol acetate, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellol acetate, (S)- 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 Citronellol acetate, (S)-?
The CAS number of Citronellol acetate, (S)- is 67601-05-2.
What is the molecular formula of Citronellol acetate, (S)-?
The molecular formula of Citronellol acetate, (S)- is C12H22O2.
What is the molecular weight of Citronellol acetate, (S)-?
The molecular weight of Citronellol acetate, (S)- is 198.16 g/mol.
Where can I buy Citronellol acetate, (S)-?
You can request a quote for Citronellol acetate, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellol acetate, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Citronellol acetate, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.