Hexyl acrylate
TL;DR: Hexyl acrylate (CAS 2499-95-8) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl prop-2-enoate
Also Known As: Hexyl acrylate, n-Hexyl acrylate, hexyl prop-2-enoate, n-Hexylacrylate, Ageflex n-HA
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
| Melting Point | -45 °C |
| Boiling Point | 188 °C |
| Density | Relative density (water = 1): 0.9 |
| Solubility | Solubility in water, g/100ml: 0.04 (very poor) |
| Flash Point | 68 °C c.c. |
Chemical Identifiers
| CAS Number | 2499-95-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C=C |
| InChIKey | LNMQRPPRQDGUDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl acrylate (CAS 2499-95-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: hexyl prop-2-enoate.
Chemical Property Profile of Hexyl acrylate
Property Insights of Hexyl acrylate
The XLogP value of 3.4 indicates that Hexyl acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl acrylate 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 Hexyl acrylate?
The CAS number of Hexyl acrylate is 2499-95-8.
What is the molecular formula of Hexyl acrylate?
The molecular formula of Hexyl acrylate is C9H16O2.
What is the molecular weight of Hexyl acrylate?
The molecular weight of Hexyl acrylate is 156.12 g/mol.
Where can I buy Hexyl acrylate?
You can request a quote for Hexyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.