Linalyl butyrate
TL;DR: Linalyl butyrate (CAS 78-36-4) 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 butanoate
Also Known As: Linalyl butyrate, Linalyl butanoate, LinalylButyrate, linalylbutyrat, linalylbutyrat-
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| Boiling Point | 220.00 to 222.00 °C. @ 760.00 mm Hg |
| Density | 0.855-0.905 |
| Solubility | soluble in alcohols and oils, slightly soluble in water |
| Refractive Index | 1.451-1.456 |
Chemical Identifiers
| CAS Number | 78-36-4 |
|---|---|
| SMILES | CCCC(=O)OC(C)(CCC=C(C)C)C=C |
| InChIKey | FHLGUOHLUFIAAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Linalyl butyrate (CAS 78-36-4), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl butanoate.
Chemical Property Profile of Linalyl butyrate
Property Insights of Linalyl butyrate
The XLogP value of 4.1 indicates that Linalyl butyrate 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 butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl butyrate 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 butyrate?
The CAS number of Linalyl butyrate is 78-36-4.
What is the molecular formula of Linalyl butyrate?
The molecular formula of Linalyl butyrate is C14H24O2.
What is the molecular weight of Linalyl butyrate?
The molecular weight of Linalyl butyrate is 224.18 g/mol.
Where can I buy Linalyl butyrate?
You can request a quote for Linalyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linalyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Linalyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.