2,2,4-Trimethylpentane
TL;DR: 2,2,4-Trimethylpentane (CAS 540-84-1) is a chemical compound with molecular formula C8H18 and molecular weight 114.140854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,4-trimethylpentane
Also Known As: 2,2,4-Trimethylpentane, Isooctane, Isobutyltrimethylmethane, ISO-OCTANE, Pentane, 2,2,4-trimethyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18 |
| Molecular Weight | 114.140854 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.140854 Da |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
| Melting Point | -107.45 °C |
| Boiling Point | 99.238 °C |
| Density | 0.69194 @ 20 °C/4 °C |
| Flash Point | 10 °F (NFPA, 2010) |
| Vapor Pressure | 49.3 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.39157 @ 20 °C/D |
| Solubility | PRACTICALLY INSOL IN WATER; SOMEWHAT SOL IN ABS ALC; SOL IN BENZENE, TOLUENE, XYLENE, CHLOROFORM, ETHER, CARBON DISULFIDE, CARBON TETRACHLORIDE, DMF & OILS, EXCEPT CASTOR OIL. |
| SMILES | CC(C)CC(C)(C)C |
| InChIKey | NHTMVDHEPJAVLT-UHFFFAOYSA-N |
Product Description
Applications: 2,2,4-Trimethylpentane is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,2,4-Trimethylpentane (CAS 540-84-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,2,4-Trimethylpentane is a polymer intermediate identified by CAS number 540-84-1 and the molecular formula C8H18 and a molecular weight of 114.14 g/mol. Physically, the compound has a density of 0.69194 @ 20 °C/4 °C g/cm³, a solubility: PRACTICALLY INSOL IN WATER; SOMEWHAT SOL IN ABS ALC; SOL IN BENZENE, TOLUENE, XYLENE, CHLOROFORM, ETHER, CARBON DISULFIDE, CARBON TETRACHLORIDE, DMF & OILS, EXCEPT CASTOR OIL. It is also known as 2,2,4-Trimethylpentane and Isooctane.
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 2,2,4-Trimethylpentane
Property Insights of 2,2,4-Trimethylpentane
The XLogP value of 3.8 indicates that 2,2,4-Trimethylpentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,4-Trimethylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethylpentane 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 2,2,4-Trimethylpentane?
The CAS number of 2,2,4-Trimethylpentane is 540-84-1.
What is the molecular formula of 2,2,4-Trimethylpentane?
The molecular formula of 2,2,4-Trimethylpentane is C8H18.
What is the molecular weight of 2,2,4-Trimethylpentane?
The molecular weight of 2,2,4-Trimethylpentane is 114.140854 g/mol.
What are the applications of 2,2,4-Trimethylpentane?
2,2,4-Trimethylpentane is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,2,4-Trimethylpentane (CAS...
Where can I buy 2,2,4-Trimethylpentane?
You can request a quote for 2,2,4-Trimethylpentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,4-Trimethylpentane?
Yes, CoreyChem provides custom synthesis services for 2,2,4-Trimethylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.