Citronellyl phenylacetate
TL;DR: Citronellyl phenylacetate (CAS 139-70-8) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyloct-6-enyl 2-phenylacetate
Also Known As: Citronellyl phenylacetate, Citronellyl alpha-toluate, 2-Cyanophenothiazine, Citronellyl a-toluate, FEMA No. 2315
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H26O2 |
| Molecular Weight | 274.19327 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.19327 Da |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
| Boiling Point | 342.00 °C. @ 760.00 mm Hg |
| Density | 0.958-0.960 |
| Refractive Index | 1.492-1.510 |
| Solubility | Insoluble in water; soluble in oils |
| SMILES | CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | CVJBFMVLVJZZMM-UHFFFAOYSA-N |
Product Description
Applications: Citronellyl phenylacetate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Citronellyl phenylacetate (CAS 139-70-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Citronellyl phenylacetate is a pharmaceutical intermediate identified by CAS number 139-70-8 and the molecular formula C18H26O2 and a molecular weight of 274.19 g/mol. Physically, the compound has a density of 0.958-0.960 g/cm³, a solubility: Insoluble in water; soluble in oils. It is also known as Citronellyl phenylacetate and Citronellyl alpha-toluate.
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 phenylacetate
Property Insights of Citronellyl phenylacetate
The XLogP value of 5.4 indicates that Citronellyl phenylacetate 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 phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl phenylacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Citronellyl phenylacetate?
The CAS number of Citronellyl phenylacetate is 139-70-8.
What is the molecular formula of Citronellyl phenylacetate?
The molecular formula of Citronellyl phenylacetate is C18H26O2.
What is the molecular weight of Citronellyl phenylacetate?
The molecular weight of Citronellyl phenylacetate is 274.19327 g/mol.
What are the applications of Citronellyl phenylacetate?
Citronellyl phenylacetate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Citronellyl phenylacetate (CAS...
Where can I buy Citronellyl phenylacetate?
You can request a quote for Citronellyl phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Citronellyl phenylacetate?
Yes, CoreyChem provides custom synthesis services for Citronellyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.