Citronellyl valerate
TL;DR: Citronellyl valerate (CAS 7540-53-6) is a chemical compound with molecular formula C15H28O2 and molecular weight 240.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enyl pentanoate
Also Known As: CITRONELLYL VALERATE, Citronellyl pentanoate, 3,7-dimethyloct-6-enyl pentanoate, M-chlorobenzoylchloride, FEMA No. 2317
| Molecular Formula | C15H28O2 |
|---|---|
| Molecular Weight | 240.21 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 240.20892 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
| Boiling Point | 237.00 to 240.00 °C. @ 760.00 mm Hg |
| Density | 0.890 (15.5°) |
| Refractive Index | 1.4435 |
Chemical Identifiers
| CAS Number | 7540-53-6 |
|---|---|
| SMILES | CCCCC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | PFOJEJPZUVQHEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citronellyl valerate (CAS 7540-53-6), with molecular formula C15H28O2 and molecular weight 240.21 g/mol. IUPAC: 3,7-dimethyloct-6-enyl pentanoate.
Chemical Property Profile of Citronellyl valerate
Property Insights of Citronellyl valerate
The XLogP value of 5.1 indicates that Citronellyl valerate 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 valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl valerate 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 valerate?
The CAS number of Citronellyl valerate is 7540-53-6.
What is the molecular formula of Citronellyl valerate?
The molecular formula of Citronellyl valerate is C15H28O2.
What is the molecular weight of Citronellyl valerate?
The molecular weight of Citronellyl valerate is 240.21 g/mol.
Where can I buy Citronellyl valerate?
You can request a quote for Citronellyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellyl valerate?
Yes, KEHONG BIO provides custom synthesis services for Citronellyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.