对异丙基甲苯
TL;DR: 对异丙基甲苯 (CAS 99-87-6) 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.
对异丙基甲苯
1-methyl-4-propan-2-ylbenzene
Also Known As: P-CYMENE, 4-Isopropyltoluene, p-Isopropyltoluene, Dolcymene, Paracymene
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 4.1 |
| 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 | 86.0 |
| Melting Point | -67.9 °C |
| Boiling Point | 177.2 °C at 760 mmHg |
| Density | 0.857 at 20.0 °C - Less dense than water; will float |
| Solubility | In water, 23.4 mg/L at 25 °C |
| Flash Point | 47.2 °C |
| Vapor Pressure | 1.46 [mmHg] |
| Refractive Index | 1.4909 at 20 °C |
Chemical Identifiers
| CAS Number | 99-87-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)C |
| InChIKey | HFPZCAJZSCWRBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对异丙基甲苯 (CAS 99-87-6), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: 1-methyl-4-propan-2-ylbenzene.
Chemical Property Profile of 对异丙基甲苯
Property Insights of 对异丙基甲苯
The XLogP value of 4.1 indicates that 对异丙基甲苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 对异丙基甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对异丙基甲苯 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 对异丙基甲苯?
The CAS number of 对异丙基甲苯 is 99-87-6.
What is the molecular formula of 对异丙基甲苯?
The molecular formula of 对异丙基甲苯 is C10H14.
What is the molecular weight of 对异丙基甲苯?
The molecular weight of 对异丙基甲苯 is 134.11 g/mol.
Where can I buy 对异丙基甲苯?
You can request a quote for 对异丙基甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对异丙基甲苯?
Yes, KEHONG BIO provides custom synthesis services for 对异丙基甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.