Linalyl Acetate
TL;DR: Linalyl Acetate (CAS 115-95-7) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 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 acetate
Also Known As: LINALYL ACETATE, Bergamiol, Linalool acetate, Bergamol, Lynalyl acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 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 | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| Melting Point | < 25 °C |
| Boiling Point | 221 °C |
| Density | 0.895 g/cu cm at 20 °C |
| Solubility | Insoluble in water |
| Flash Point | 94 °C (93.9 °C) - closed cup |
| Vapor Pressure | 0.11 [mmHg] |
| Refractive Index | 1.4500 at 20 °C (natural); 1.4495-1.4512 at 20 °C (synthetic); optical rotation: -7 deg 42 min to +8 deg 18 min (natural); + or - 0 deg (synthetic) |
Chemical Identifiers
| CAS Number | 115-95-7 |
|---|---|
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C)C |
| InChIKey | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Linalyl Acetate (CAS 115-95-7), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl acetate.
Chemical Property Profile of Linalyl Acetate
Property Insights of Linalyl Acetate
The XLogP value of 3.3 indicates that Linalyl Acetate 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 Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl Acetate 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 Acetate?
The CAS number of Linalyl Acetate is 115-95-7.
What is the molecular formula of Linalyl Acetate?
The molecular formula of Linalyl Acetate is C12H20O2.
What is the molecular weight of Linalyl Acetate?
The molecular weight of Linalyl Acetate is 196.15 g/mol.
Where can I buy Linalyl Acetate?
You can request a quote for Linalyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linalyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for Linalyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.