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 118.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethenyl-3-methylbenzene
Also Known As: 3-Methylstyrene, 3-Vinyltoluene, 1-Methyl-3-vinylbenzene, m-Vinyltoluene, 1-Ethenyl-3-methylbenzene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10 |
| Molecular Weight | 118.07825 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.07825 Da |
| Heavy Atoms | 9 |
| Complexity | 94.0 |
| Melting Point | -86.3 °C |
| Boiling Point | 170 °C |
| Density | 0.9076 g/cu cm at 25 °C |
| Flash Point | 51 °C c.c. |
| Vapor Pressure | 1.70 mm Hg at 25 °C |
| Refractive Index | Index of refraction: 1.5411 at 25 °C/D |
| Solubility | In water, 89.0 mg/L at 25 °C |
| SMILES | CC1=CC(=CC=C1)C=C |
| InChIKey | JZHGRUMIRATHIU-UHFFFAOYSA-N |
Product Description
Applications: 1-Ethenyl-3-methylbenzene is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Ethenyl-3-methylbenzene (CAS 100-80-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, 1-Ethenyl-3-methylbenzene (CAS 100-80-1) has the molecular formula C9H10 and a molecular weight of 118.08 g/mol. Reported properties include a density of 0.9076 g/cu cm at 25 °C g/cm³, a solubility: In water, 89.0 mg/L at 25 °C. It is also known as 3-Methylstyrene and 3-Vinyltoluene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 118.07825 g/mol.
What are the applications of 1-Ethenyl-3-methylbenzene?
1-Ethenyl-3-methylbenzene is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Ethenyl-3-methylbenzene (CAS 100-80-1) with...
Where can I buy 1-Ethenyl-3-methylbenzene?
You can request a quote for 1-Ethenyl-3-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethenyl-3-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Ethenyl-3-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.