1-Methyl-4-isopropylcyclohexane
TL;DR: 1-Methyl-4-isopropylcyclohexane (CAS 99-82-1) is a chemical compound with molecular formula C10H20 and molecular weight 140.1565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-propan-2-ylcyclohexane
Also Known As: p-Menthane, cis-p-Menthane, trans-p-Menthane, menthane, p-Menthane, trans-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H20 |
| Molecular Weight | 140.1565 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.1565 Da |
| Heavy Atoms | 10 |
| Complexity | 86.0 |
| Melting Point | -89.84 °C |
| Boiling Point | 170.9 °C AT 725 MM HG |
| Density | 0.8039 AT 20 °C/4 °C |
| Vapor Pressure | 2.69 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4431 AT 20 °C/D; SADTLER REF NUMBER: 20221 (IR, PRISM); MAX ABSORPTION (ISOOCTANE): 220 NM (LOG E= -0.67); 250 NM (LOG E= -1.38) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CC1CCC(CC1)C(C)C |
| InChIKey | CFJYNSNXFXLKNS-UHFFFAOYSA-N |
Product Description
Applications: 1-Methyl-4-isopropylcyclohexane is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 1-Methyl-4-isopropylcyclohexane (CAS 99-82-1) has the molecular formula C10H20 and a molecular weight of 140.16 g/mol. Reported properties include a density of 0.8039 AT 20 °C/4 °C g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). Synonyms include p-Menthane and cis-p-Menthane.
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-Methyl-4-isopropylcyclohexane
Property Insights of 1-Methyl-4-isopropylcyclohexane
The XLogP value of 4.5 indicates that 1-Methyl-4-isopropylcyclohexane 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-Methyl-4-isopropylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-isopropylcyclohexane 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-Methyl-4-isopropylcyclohexane?
The CAS number of 1-Methyl-4-isopropylcyclohexane is 99-82-1.
What is the molecular formula of 1-Methyl-4-isopropylcyclohexane?
The molecular formula of 1-Methyl-4-isopropylcyclohexane is C10H20.
What is the molecular weight of 1-Methyl-4-isopropylcyclohexane?
The molecular weight of 1-Methyl-4-isopropylcyclohexane is 140.1565 g/mol.
What are the applications of 1-Methyl-4-isopropylcyclohexane?
1-Methyl-4-isopropylcyclohexane is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1-Methyl-4-isopropylcyclohexane?
You can request a quote for 1-Methyl-4-isopropylcyclohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-isopropylcyclohexane?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-isopropylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.