2,2,4-Trimethyl-1,3-pentanediol
Product Information
Molecular Formula
C8H18O2
Molecular Weight
146.23
Description
2,2,4-Trimethyl-1,3-pentanediol is a notable organic compound used as an active ingredient in various medications. It has antiviral properties and is primarily being studied for the treatment of viral diseases, including herpes and influenza.
Synonyms
Trimethyl-1,3-pentanediol;1,3-Pentanediol, 2,2,4-trimethyl-
IUPAC Name
2,2,4-trimethylpentane-1,3-diol
SMILES
CC(C)C(C(C)(C)CO)O
InChI
InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
InChI Key
JCTXKRPTIMZBJT-UHFFFAOYSA-N
Boiling Point
232 °C (lit.)
Melting Point
50-53 °C (lit.)
Flash Point
235.4 °CF - closed cup
Purity
0.97
Density
0.937 g/cm³
Solubility
SOL IN HOT BENZENE
Appearance
White crystalline powder
Application
This product is suitable for scientific research.
Refractive Index
1.45
Vapor Pressure
0.01 [mmHg]
Henry's Law Constant
7.16X10-7 atm-cu m/mole at 25 °C (est)
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
1.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
146.130679813 g/mol
Monoisotopic Mass
146.130679813 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
97.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114031760-A | High-barrier-property high-strength PBAT-PGA (poly (butylene adipate-co-terephthalate) -poly (propylene glycol)) block copolymer biodegradable polyester and preparation method thereof | 2022-01-07 |
| CN-114180844-A | Lithium-tellurium-silicon binary glass oxide composite system and conductive paste containing same | 2021-12-29 |
| CN-114038608-A | Low-resistivity solar cell conductive paste | 2021-12-24 |
| CN-114133911-A | Solvent-free bi-component polyurethane adhesive and application thereof | 2021-12-23 |
| CN-114058210-A | Water-based photo-curing ink composition, and preparation method and application thereof | 2021-12-21 |
| CN-114133549-A | Fully biodegradable branched aliphatic polycarbonate and preparation method and application thereof | 2021-12-10 |
| CN-113963840-A | Low-temperature conductive paste composition and preparation method and application thereof | 2021-12-07 |
| CN-114133886-A | Automobile paint surface protective film | 2021-12-07 |
| CN-114088252-A | Wall-hitting liquid film calibration device with controllable thickness and temperature | 2021-12-03 |
| CN-113861517-A | Konjac glucomannan porous composite membrane, preparation method and application thereof | 2021-11-19 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21481276 | 2011-04-12 | Compound C prevents Hypoxia-Inducible Factor-1α protein stabilization by regulating the cellular oxygen availability via interaction with Mitochondrial Complex I | BMC research notes |
