1,1,1-三羟甲基丙烷
TL;DR: 1,1,1-三羟甲基丙烷 (CAS 77-99-6) is a chemical compound with molecular formula C6H14O3 and molecular weight 134.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-三羟甲基丙烷
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Also Known As: Trimethylolpropane, Trimethylol propane, Ethriol, Hexaglycerol, Hexaglycerine
| Molecular Formula | C6H14O3 |
|---|---|
| Molecular Weight | 134.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.0943 |
| Heavy Atoms | 9 |
| Complexity | 60.0 |
| Melting Point | 58 °C |
| Boiling Point | 160 °C @ 5 MM HG |
| Density | 1.084 g/cm³ |
| Solubility | SOL IN ALL PROP IN WATER, ALCOHOL; INSOL IN BENZENE, CARBON TETRACHLORIDE |
| Flash Point | 172 °C c.c. |
| Vapor Pressure | 0.0000449 [mmHg] |
Chemical Identifiers
| CAS Number | 77-99-6 |
|---|---|
| SMILES | CCC(CO)(CO)CO |
| InChIKey | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-三羟甲基丙烷 (CAS 77-99-6), with molecular formula C6H14O3 and molecular weight 134.09 g/mol. IUPAC: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol.
Chemical Property Profile of 1,1,1-三羟甲基丙烷
Property Insights of 1,1,1-三羟甲基丙烷
The XLogP value of -0.8 indicates that 1,1,1-三羟甲基丙烷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-三羟甲基丙烷. Following Lipinski's Rule of Five, 1,1,1-三羟甲基丙烷 has 3 hydrogen bond donor(s) and 3 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 1,1,1-三羟甲基丙烷?
The CAS number of 1,1,1-三羟甲基丙烷 is 77-99-6.
What is the molecular formula of 1,1,1-三羟甲基丙烷?
The molecular formula of 1,1,1-三羟甲基丙烷 is C6H14O3.
What is the molecular weight of 1,1,1-三羟甲基丙烷?
The molecular weight of 1,1,1-三羟甲基丙烷 is 134.09 g/mol.
Where can I buy 1,1,1-三羟甲基丙烷?
You can request a quote for 1,1,1-三羟甲基丙烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-三羟甲基丙烷?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-三羟甲基丙烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.