香茅醛
TL;DR: 香茅醛 (CAS 106-23-0) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香茅醛
3,7-dimethyloct-6-enal
Also Known As: CITRONELLAL, 3,7-Dimethyloct-6-enal, Rhodinal, 3,7-Dimethyl-6-octenal, Citronellel
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| Melting Point | 147 °C |
| Boiling Point | 205 °C |
| Density | 0.853 g/cu cm at 20 °C |
| Solubility | Slightly soluble in water |
| Flash Point | 73.9 °C (74 °C) (CLOSED CUP) |
| Vapor Pressure | 0.28 [mmHg] |
| Refractive Index | 1.446 at 20 °C |
Chemical Identifiers
| CAS Number | 106-23-0 |
|---|---|
| SMILES | CC(CCC=C(C)C)CC=O |
| InChIKey | NEHNMFOYXAPHSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香茅醛 (CAS 106-23-0), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 3,7-dimethyloct-6-enal.
Chemical Property Profile of 香茅醛
Property Insights of 香茅醛
The XLogP value of 3.0 indicates that 香茅醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 香茅醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香茅醛 has 0 hydrogen bond donor(s) and 1 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 香茅醛?
The CAS number of 香茅醛 is 106-23-0.
What is the molecular formula of 香茅醛?
The molecular formula of 香茅醛 is C10H18O.
What is the molecular weight of 香茅醛?
The molecular weight of 香茅醛 is 154.14 g/mol.
Where can I buy 香茅醛?
You can request a quote for 香茅醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香茅醛?
Yes, KEHONG BIO provides custom synthesis services for 香茅醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.