Citronellyl Acetate
TL;DR: Citronellyl Acetate (CAS 150-84-5) 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.
3,7-dimethyloct-6-enyl acetate
Also Known As: Citronellyl acetate, Citronellol acetate, Rhodinyl acetate, 3,7-Dimethyloct-6-en-1-yl acetate, Cephreine
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
| Boiling Point | 229.00 °C. @ 760.00 mm Hg |
| Density | 0.883-0.893 |
| Solubility | soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water |
| Refractive Index | 1.440-1.450 |
Chemical Identifiers
| CAS Number | 150-84-5 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCOC(=O)C |
| InChIKey | JOZKFWLRHCDGJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citronellyl Acetate (CAS 150-84-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 3,7-dimethyloct-6-enyl acetate.
Chemical Property Profile of Citronellyl Acetate
Property Insights of Citronellyl Acetate
The XLogP value of 3.8 indicates that Citronellyl 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, Citronellyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl 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 Citronellyl Acetate?
The CAS number of Citronellyl Acetate is 150-84-5.
What is the molecular formula of Citronellyl Acetate?
The molecular formula of Citronellyl Acetate is C12H22O2.
What is the molecular weight of Citronellyl Acetate?
The molecular weight of Citronellyl Acetate is 198.16 g/mol.
Where can I buy Citronellyl Acetate?
You can request a quote for Citronellyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.