alpha-Linalool
TL;DR: alpha-Linalool (CAS 598-07-2) 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.
3,7-dimethylocta-1,7-dien-3-ol
Also Known As: alpha-Linalool, .alpha.-Linalool, 3,7-Dimethyl-1,7-octadien-3-ol, 3,7-dimethylocta-1,7-dien-3-ol, 1,7-Octadien-3-ol, 3,7-dimethyl-
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 598-07-2 |
|---|---|
| SMILES | CC(=C)CCCC(C)(C=C)O |
| InChIKey | GYJHTGZQPKPEOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Linalool (CAS 598-07-2), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 3,7-dimethylocta-1,7-dien-3-ol.
Chemical Property Profile of alpha-Linalool
Property Insights of alpha-Linalool
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Linalool. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-Linalool exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Linalool has 1 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 alpha-Linalool?
The CAS number of alpha-Linalool is 598-07-2.
What is the molecular formula of alpha-Linalool?
The molecular formula of alpha-Linalool is C10H18O.
What is the molecular weight of alpha-Linalool?
The molecular weight of alpha-Linalool is 154.14 g/mol.
Where can I buy alpha-Linalool?
You can request a quote for alpha-Linalool directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Linalool?
Yes, KEHONG BIO provides custom synthesis services for alpha-Linalool and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.