2-Methyl-1,3-propanediol
Product Information
Molecular Formula
C4H10O2
Molecular Weight
90.12
Description
2-Methyl-1,3-propanediol is a highly versatile compound extensively employed within the biomedical realm for diverse applications. Its multifaceted role encompasses serving as a crucial constituent in pharmaceuticals, cosmetics, and personal care products. The singular attributes of 2-Methyl-1,3-propanediol play a pivotal role in augmenting the solubility, stability, and delivery of drugs. Moreover, its utility extends to the realm of developing therapeutic agents targeting ailments such as cancer, diabetes, and cardiovascular disorders.
Synonyms
1,3-DIHYDROXY-2-METHYLPROPANE; 2-METHYL-PROPAN-1,3-DIOL; 2-METHYL-1,3-PROPANEDIOL; 2-methyl-3-propanediol; 3-Propanediol,2-methyl-1; MP diol glycol; MPDIOL(R); MPDIOL(R) GLYCOL
IUPAC Name
2-methylpropane-1,3-diol
SMILES
CC(CO)CO
InChI
InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3
InChI Key
QWGRWMMWNDWRQN-UHFFFAOYSA-N
Boiling Point
123-125 °C/20 mmHg (lit.)
Melting Point
−91 °C (lit.)
Flash Point
260.6 °CF - closed cup
Purity
0.99
Density
1.015
Solubility
In water, greater than or equal to 3000 mg/L at 25 °C
Appearance
Colorless liquid
Application
Used as a solvent glycol in personal care products (neutralizer, emollient, emulsifier, and humectant); in the manufacture of resins and coatings.
Refractive Index
n20/D 1.445 (lit.)
Stability
Stable under recommended storage conditions.
LogP
log Kow = 0.24 at 20 °C
Vapor Pressure
0.02 [mmHg]
Henry's Law Constant
2.3X10-7 atm-cu m/mole at 25 °C (est)
Odor
Little or no odor
Computed Properties
XLogP3
-0.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
90.068079557 g/mol
Monoisotopic Mass
90.068079557 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
24.7
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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-114058198-A | Composition for packaging OLED, packaging film layer and OLED display | 2022-01-07 |
| CN-114163620-A | Water-stain-resistant whitening-resistant polyester resin and preparation method and application thereof | 2021-12-23 |
| JP-2022033203-A | Surface protection film | 2021-12-21 |
| JP-2022027992-A | Wiring board and its manufacturing method | 2021-12-20 |
| CN-114085351-A | Composition for preparing waterborne polyurethane, preparation method and application of waterborne polyurethane, and method for preparing microfiber leather | 2021-12-16 |
| CN-114133538-A | Special polyester resin for anti-sticking hanger powder coating and preparation method thereof | 2021-12-13 |
| CN-114133549-A | Fully biodegradable branched aliphatic polycarbonate and preparation method and application thereof | 2021-12-10 |
| CN-113956451-A | Degradable high-gas-barrier polyester-polycarbonate copolymer, preparation method and application | 2021-12-07 |
| CN-113956452-A | Hydrolytically degradable high-gas barrier copolyester, and preparation method and application thereof | 2021-12-07 |
| CN-114044888-A | Hydrolytically degradable polymers, method for the production thereof and use thereof | 2021-12-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22511872 | 2012-01-01 | The transcription factor AmrZ utilizes multiple DNA binding modes to recognize activator and repressor sequences of Pseudomonas aeruginosa virulence genes | PLoS pathogens |
| 22099947 | 2011-11-20 | Optimization of culture conditions to produce high yields of active Acetobacter sp. CCTCC M209061 cells for anti-Prelog reduction of prochiral ketones | BMC biotechnology |
| 21739988 | 2011-08-17 | Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction | Journal of the American Chemical Society |
| 20964351 | 2010-11-17 | Inducing single-molecule magnetism in a family of loop-of-loops aggregates: heterometallic Mn(40)Na(4) clusters and the homometallic Mn(44) analogue | Journal of the American Chemical Society |
| 20422074 | 2010-05-28 | A Mn₁₅ single-molecule magnet consisting of a supertetrahedron incorporated in a loop | Dalton transactions (Cambridge, England : 2003) |
| 18787651 | 2008-09-12 | The difficult case of crystallization and structure solution for the ParC55 breakage-reunion domain of topoisomerase IV from Streptococcus pneumoniae | PloS one |
| 14535772 | 2003-10-17 | Regulated-stereoselective construction of thirteen stereogenic centers necessary for the frame of (+)-discodermolide, based on iterative Lewis acid-promoted aldol reactions | The Journal of organic chemistry |
| 11386867 | 2001-05-01 | A multiphasic hollow fiber reactor for the whole-cell bioconversion of 2-methyl-1,3-propanediol to (r)-beta-hydroxyisobutyric acid | Biotechnology progress |
