1,4-Diisopropylbenzene
TL;DR: 1,4-Diisopropylbenzene (CAS 100-18-5) is a chemical compound with molecular formula C12H18 and molecular weight 162.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-di(propan-2-yl)benzene
Also Known As: 1,4-DIISOPROPYLBENZENE, p-Diisopropylbenzene, p-Diisopropylbenzol, Benzene, p-diisopropyl-, Benzene, 1,4-bis(1-methylethyl)-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18 |
| Molecular Weight | 162.14085 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.14085 Da |
| Heavy Atoms | 12 |
| Complexity | 100.0 |
| Melting Point | -17.1 °C |
| Boiling Point | 210.3 °C |
| Density | 0.8568 AT 20 °C/4 °C |
| Vapor Pressure | 0.24 [mmHg] |
| Solubility | INSOL IN WATER |
| SMILES | CC(C)C1=CC=C(C=C1)C(C)C |
| InChIKey | SPPWGCYEYAMHDT-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Diisopropylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,4-Diisopropylbenzene (CAS 100-18-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, 1,4-Diisopropylbenzene (CAS 100-18-5) has the molecular formula C12H18 and a molecular weight of 162.14 g/mol. Reported properties include a density of 0.8568 AT 20 °C/4 °C g/cm³, a solubility: INSOL IN WATER. It is also known as 1,4-DIISOPROPYLBENZENE and p-Diisopropylbenzene.
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 1,4-Diisopropylbenzene
Property Insights of 1,4-Diisopropylbenzene
The XLogP value of 4.9 indicates that 1,4-Diisopropylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Diisopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diisopropylbenzene 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 1,4-Diisopropylbenzene?
The CAS number of 1,4-Diisopropylbenzene is 100-18-5.
What is the molecular formula of 1,4-Diisopropylbenzene?
The molecular formula of 1,4-Diisopropylbenzene is C12H18.
What is the molecular weight of 1,4-Diisopropylbenzene?
The molecular weight of 1,4-Diisopropylbenzene is 162.14085 g/mol.
What are the applications of 1,4-Diisopropylbenzene?
1,4-Diisopropylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,4-Diisopropylbenzene (CAS...
Where can I buy 1,4-Diisopropylbenzene?
You can request a quote for 1,4-Diisopropylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Diisopropylbenzene?
Yes, CoreyChem provides custom synthesis services for 1,4-Diisopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.