O-Cymene
TL;DR: O-Cymene (CAS 527-84-4) is a chemical compound with molecular formula C10H14 and molecular weight 134.10954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-propan-2-ylbenzene
Also Known As: O-CYMENE, 2-Isopropyltoluene, o-Cymol, o-Isopropyltoluene, 1-Isopropyl-2-methylbenzene
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14 |
| Molecular Weight | 134.10954 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.10954 Da |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
| Melting Point | -71.5 °C |
| Boiling Point | 178 °C |
| Density | 0.8766 g/cu cm at 20 °C |
| Vapor Pressure | 1.5 [mmHg] |
| Refractive Index | Index of refraction: 1.5006 at 20 °C/D |
| Solubility | In water, 23.3 mg/L at 25 °C |
| SMILES | CC1=CC=CC=C1C(C)C |
| InChIKey | WWRCMNKATXZARA-UHFFFAOYSA-N |
Product Description
Applications: O-Cymene is used in complex organic molecule assembly across discovery and process chemistry, as well as catalysis, accelerating transformations in both laboratory and industrial settings. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies O-Cymene (CAS 527-84-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
O-Cymene (CAS 527-84-4) is a organic building block with the molecular formula C10H14 and a molecular weight of 134.11 g/mol. Key physical properties include a density of 0.8766 g/cu cm at 20 °C g/cm³, a solubility: In water, 23.3 mg/L at 25 °C. It is also known as O-CYMENE and 2-Isopropyltoluene.
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 O-Cymene
Property Insights of O-Cymene
The XLogP value of 3.4 indicates that O-Cymene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, O-Cymene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Cymene 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 O-Cymene?
The CAS number of O-Cymene is 527-84-4.
What is the molecular formula of O-Cymene?
The molecular formula of O-Cymene is C10H14.
What is the molecular weight of O-Cymene?
The molecular weight of O-Cymene is 134.10954 g/mol.
What are the applications of O-Cymene?
O-Cymene is used in complex organic molecule assembly across discovery and process chemistry, as well as catalysis, accelerating transformations in both laboratory and industrial settings. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies O-Cymene (CAS...
Where can I buy O-Cymene?
You can request a quote for O-Cymene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Cymene?
Yes, CoreyChem provides custom synthesis services for O-Cymene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.