O-Cymene
TL;DR: O-Cymene (CAS 527-84-4) is a chemical compound with molecular formula C10H14 and molecular weight 134.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-propan-2-ylbenzene
Also Known As: O-CYMENE, 2-Isopropyltoluene, o-Cymol, o-Isopropyltoluene, 1-Isopropyl-2-methylbenzene
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.10954 |
| Heavy Atoms | 10 |
| Complexity | 94.0 |
| Melting Point | -71.5 °C |
| Boiling Point | 178 °C |
| Density | 0.8766 g/cu cm at 20 °C |
| Solubility | In water, 23.3 mg/L at 25 °C |
| Vapor Pressure | 1.5 [mmHg] |
| Refractive Index | 1.5006 at 20 °C |
Chemical Identifiers
| CAS Number | 527-84-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(C)C |
| InChIKey | WWRCMNKATXZARA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Cymene (CAS 527-84-4), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: 1-methyl-2-propan-2-ylbenzene.
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
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 134.11 g/mol.
Where can I buy O-Cymene?
You can request a quote for O-Cymene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Cymene?
Yes, KEHONG BIO provides custom synthesis services for O-Cymene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.