2,2,4-Trimethyl-1,3-pentanediol
TL;DR: 2,2,4-Trimethyl-1,3-pentanediol (CAS 144-19-4) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylpentane-1,3-diol
Also Known As: 2,2,4-TRIMETHYL-1,3-PENTANEDIOL, 2,2,4-Trimethylpentane-1,3-diol, TMPD, TMPD (alcohol), null
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
| Melting Point | 51-52 °C |
| Boiling Point | 234 °C @ 737 MM HG |
| Density | 0.937 AT 15 °C/15 °C |
| Solubility | SOL IN HOT BENZENE |
| Flash Point | 113 °C |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | 1.4513 @ 15 °C; SADTLER REFERENCE NUMBER: 6527 (IR, PRISM) |
Chemical Identifiers
| CAS Number | 144-19-4 |
|---|---|
| SMILES | CC(C)C(C(C)(C)CO)O |
| InChIKey | JCTXKRPTIMZBJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethyl-1,3-pentanediol (CAS 144-19-4), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 2,2,4-trimethylpentane-1,3-diol.
Chemical Property Profile of 2,2,4-Trimethyl-1,3-pentanediol
Property Insights of 2,2,4-Trimethyl-1,3-pentanediol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethyl-1,3-pentanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2,4-Trimethyl-1,3-pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,3-pentanediol has 2 hydrogen bond donor(s) and 2 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 2,2,4-Trimethyl-1,3-pentanediol?
The CAS number of 2,2,4-Trimethyl-1,3-pentanediol is 144-19-4.
What is the molecular formula of 2,2,4-Trimethyl-1,3-pentanediol?
The molecular formula of 2,2,4-Trimethyl-1,3-pentanediol is C8H18O2.
What is the molecular weight of 2,2,4-Trimethyl-1,3-pentanediol?
The molecular weight of 2,2,4-Trimethyl-1,3-pentanediol is 146.13 g/mol.
Where can I buy 2,2,4-Trimethyl-1,3-pentanediol?
You can request a quote for 2,2,4-Trimethyl-1,3-pentanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-1,3-pentanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,3-pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.