Linalyl isobutyrate
TL;DR: Linalyl isobutyrate (CAS 78-35-3) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 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 2-methylpropanoate
Also Known As: Linalyl isobutyrate, Linalool isobutyrate, Linalylisobutyrate, Linalool, isobutyrate, linalylisobutyrat
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| Melting Point | < 25 °C |
| Boiling Point | 228.00 to 230.00 °C. @ 760.00 mm Hg |
| Density | 0.882-0.888 |
| Solubility | 10 mg/L @ 20 °C (exp) |
| Refractive Index | 1.446-1.451 |
Chemical Identifiers
| CAS Number | 78-35-3 |
|---|---|
| SMILES | CC(C)C(=O)OC(C)(CCC=C(C)C)C=C |
| InChIKey | JZIARAQCPRDGAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Linalyl isobutyrate (CAS 78-35-3), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate.
Chemical Property Profile of Linalyl isobutyrate
Property Insights of Linalyl isobutyrate
The XLogP value of 4.3 indicates that Linalyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Linalyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl isobutyrate 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 Linalyl isobutyrate?
The CAS number of Linalyl isobutyrate is 78-35-3.
What is the molecular formula of Linalyl isobutyrate?
The molecular formula of Linalyl isobutyrate is C14H24O2.
What is the molecular weight of Linalyl isobutyrate?
The molecular weight of Linalyl isobutyrate is 224.18 g/mol.
Where can I buy Linalyl isobutyrate?
You can request a quote for Linalyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linalyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Linalyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.