1-Ethenyl-3-methylbenzene
TL;DR: 1-Ethenyl-3-methylbenzene (CAS 100-80-1) is a chemical compound with molecular formula C9H10 and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethenyl-3-methylbenzene
Also Known As: 3-Methylstyrene, 3-Vinyltoluene, 1-Methyl-3-vinylbenzene, m-Vinyltoluene, 1-Ethenyl-3-methylbenzene
| Molecular Formula | C9H10 |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.07825 |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| Melting Point | -86.3 °C |
| Boiling Point | 170 °C |
| Density | 0.9076 g/cu cm at 25 °C |
| Solubility | In water, 89.0 mg/L at 25 °C |
| Flash Point | 51 °C c.c. |
| Vapor Pressure | 1.70 mm Hg at 25 °C |
| Refractive Index | 1.5411 at 25 °C |
Chemical Identifiers
| CAS Number | 100-80-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C=C |
| InChIKey | JZHGRUMIRATHIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethenyl-3-methylbenzene (CAS 100-80-1), with molecular formula C9H10 and molecular weight 118.08 g/mol. IUPAC: 1-ethenyl-3-methylbenzene.
Chemical Property Profile of 1-Ethenyl-3-methylbenzene
Property Insights of 1-Ethenyl-3-methylbenzene
The XLogP value of 3.6 indicates that 1-Ethenyl-3-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethenyl-3-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethenyl-3-methylbenzene has 0 hydrogen bond donor(s) and 0 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 1-Ethenyl-3-methylbenzene?
The CAS number of 1-Ethenyl-3-methylbenzene is 100-80-1.
What is the molecular formula of 1-Ethenyl-3-methylbenzene?
The molecular formula of 1-Ethenyl-3-methylbenzene is C9H10.
What is the molecular weight of 1-Ethenyl-3-methylbenzene?
The molecular weight of 1-Ethenyl-3-methylbenzene is 118.08 g/mol.
Where can I buy 1-Ethenyl-3-methylbenzene?
You can request a quote for 1-Ethenyl-3-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethenyl-3-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethenyl-3-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.