Linalool formate
TL;DR: Linalool formate (CAS 115-99-1) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-dien-3-yl formate
Also Known As: Linalyl formate, Linalool formate, Linalool, formate, LINOLOOL, FORMATE, 3,7-dimethylocta-1,6-dien-3-yl formate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| Boiling Point | 100.00 to 103.00 °C. @ 10.00 mm Hg |
| Density | 0.910-0.918 |
| Solubility | soluble in alcohol, most fixed oils; slightly soluble in propylene glycol and water; insoluble in glycerol |
| Refractive Index | 1.453-1.458 |
Chemical Identifiers
| CAS Number | 115-99-1 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)OC=O)C |
| InChIKey | JZOCDHMHLGUPFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Linalool formate (CAS 115-99-1), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl formate.
Chemical Property Profile of Linalool formate
Property Insights of Linalool formate
The XLogP value of 3.3 indicates that Linalool formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Linalool formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalool formate has 0 hydrogen bond donor(s) and 2 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 Linalool formate?
The CAS number of Linalool formate is 115-99-1.
What is the molecular formula of Linalool formate?
The molecular formula of Linalool formate is C11H18O2.
What is the molecular weight of Linalool formate?
The molecular weight of Linalool formate is 182.13 g/mol.
Where can I buy Linalool formate?
You can request a quote for Linalool formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linalool formate?
Yes, KEHONG BIO provides custom synthesis services for Linalool formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.