Citronellyl phenylacetate
TL;DR: Citronellyl phenylacetate (CAS 139-70-8) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl 2-phenylacetate
Also Known As: Citronellyl phenylacetate, Citronellyl alpha-toluate, 2-Cyanophenothiazine, Citronellyl a-toluate, FEMA No. 2315
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
| Boiling Point | 342.00 °C. @ 760.00 mm Hg |
| Density | 0.958-0.960 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.492-1.510 |
Chemical Identifiers
| CAS Number | 139-70-8 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1 |
| InChIKey | CVJBFMVLVJZZMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citronellyl phenylacetate (CAS 139-70-8), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: 3,7-dimethyloct-6-enyl 2-phenylacetate.
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
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 274.19 g/mol.
Where can I buy Citronellyl phenylacetate?
You can request a quote for Citronellyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.