2-Methylpentyl acrylate
TL;DR: 2-Methylpentyl acrylate (CAS 3953-30-8) 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.
2-methylpentyl prop-2-enoate
Also Known As: 2-Methylpentyl acrylate, 2-methylpentyl prop-2-enoate, Propenoic acid 2-methylpentyl ester, 2-Propenoic acid,2-methylpentyl ester, Acrylicacid,2-methylpentyl ester (7CI,8CI)
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 3953-30-8 |
|---|---|
| SMILES | CCCC(C)COC(=O)C=C |
| InChIKey | SEDMFAYCVMLBFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylpentyl acrylate (CAS 3953-30-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 2-methylpentyl prop-2-enoate.
Chemical Property Profile of 2-Methylpentyl acrylate
Property Insights of 2-Methylpentyl acrylate
The XLogP value of 3.1 indicates that 2-Methylpentyl 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, 2-Methylpentyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpentyl 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 2-Methylpentyl acrylate?
The CAS number of 2-Methylpentyl acrylate is 3953-30-8.
What is the molecular formula of 2-Methylpentyl acrylate?
The molecular formula of 2-Methylpentyl acrylate is C9H16O2.
What is the molecular weight of 2-Methylpentyl acrylate?
The molecular weight of 2-Methylpentyl acrylate is 156.12 g/mol.
Where can I buy 2-Methylpentyl acrylate?
You can request a quote for 2-Methylpentyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpentyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpentyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.