Citronellyl Acetate
TL;DR: Citronellyl Acetate (CAS 150-84-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyloct-6-enyl acetate
Also Known As: Citronellyl acetate, Citronellol acetate, Rhodinyl acetate, 3,7-Dimethyloct-6-en-1-yl acetate, Cephreine
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
| Boiling Point | 229.00 °C. @ 760.00 mm Hg |
| Density | 0.883-0.893 |
| Refractive Index | 1.440-1.450 |
| Solubility | soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water |
| SMILES | CC(CCC=C(C)C)CCOC(=O)C |
| InChIKey | JOZKFWLRHCDGJA-UHFFFAOYSA-N |
Product Description
Applications: Citronellyl Acetate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Citronellyl Acetate (CAS 150-84-5) is a surfactant raw material with the molecular formula C12H22O2 and a molecular weight of 198.16 g/mol. Key physical properties include a density of 0.883-0.893 g/cm³, a solubility: soluble in alcohol, most fixed oils; insoluble in glycerol, propylene glycol, water. Synonyms include Citronellyl acetate and Citronellol acetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 198.16199 g/mol.
What are the applications of Citronellyl Acetate?
Citronellyl Acetate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Citronellyl Acetate?
You can request a quote for Citronellyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Citronellyl Acetate?
Yes, CoreyChem provides custom synthesis services for Citronellyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.