1,1,1-Tris(hydroxymethyl)propane
Product Information
Molecular Formula
C6H14O3
Molecular Weight
134.17
Description
1,1,1-Tris(hydroxymethyl)propane (CAS# 77-99-6) is a useful research chemical compound.
Synonyms
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
IUPAC Name
2-ethyl-2-(hydroxymethyl)propane-1,3-diol
SMILES
CCC(CO)(CO)CO
InChI
InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChI Key
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
Boiling Point
159-161 °C (2 mmHg)
Melting Point
56-60 °C
Flash Point
356.0 °CF
Purity
99 %
Density
1.176 g/cm3
Solubility
water, 1e+006 mg/L @ 25 °C (est)
Appearance
White crystalline flakes
Application
Used to make varnishes, alkyd resins, polyesters, UV cross linking agents, and esters; Also used in synthetic drying oils, urethane foams and coatings, silicone lube oils, lactone plasticizers, textile finishes, surfactants, epoxidation products, and as a cross-linking agent for spandex fibers; Used to make resins in closed systems.
Storage
Store in a cool, dry place. Store in a tightly closed container.
Refractive Index
1.484
Stability
Stable under normal temperatures and pressures.
LogP
-0.64030
Vapor Pressure
0.0000449 [mmHg]
QC Data
Computed Properties
XLogP3
-0.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
134.094294304 g/mol
Monoisotopic Mass
134.094294304 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
60.4
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 |
|---|---|---|
| EP-3818972-A2 | Piroctone olamine granules for use in cosmetic compositions | 2021-01-29 |
| EP-3757145-A2 | Microcellular polyurethane elastomers | 2020-10-27 |
| US-10934384-B1 | Polyurethane elastomer compositions, and processes thereof | 2020-09-09 |
| US-10934385-B1 | Polyurethane elastomers, bio-additive foam compositions | 2020-09-09 |
| US-2021087453-A1 | High-Temperature Resistant, High-Strength, and Thixotropic Gel Plugging Agent and Its Preparation Method and Application | 2020-08-04 |
| US-11034664-B1 | Synthesis of cyclic carbonate monomers | 2020-05-11 |
| EP-3816677-A1 | Lens with surface microstructures encapsulated by a self-stratified coating | 2020-04-23 |
| US-11007134-B1 | Ceramide containing capsules, ceramide compositions, and cosmetic compositions thereof | 2020-03-31 |
| US-11028217-B1 | Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols | 2020-03-13 |
| US-2021189155-A1 | Weathering-resistant nanocomposite coating | 2020-03-07 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21617943 | 2012-02-01 | 2-hydroxylethyl methacrylate (HEMA), a tooth restoration component, exerts its genotoxic effects in human gingival fibroblasts trough methacrylic acid, an immediate product of its degradation | Molecular biology reports |
| 21714073 | 2011-10-01 | Isocyanate-functional adhesives for biomedical applications. Biocompatibility and feasibility study for vascular closure applications | Journal of biomedical materials research. Part B, Applied biomaterials |
| 21681958 | 2011-09-09 | Synthesis of a difunctional orthogonal coupler for the preparation of carbohydrate-functionalized sP(EO-stat-PO) hydrogels | Macromolecular bioscience |
| 21327448 | 2011-09-01 | Synthesis of trimethylolpropane esters of oleic acid by Lipoprime 50T | Journal of industrial microbiology & biotechnology |
| 21306169 | 2011-03-16 | Synthesis of X(Y)-(EO)(n)-OCH₃ type heterobifunctional and X(Y)-(EO)(n)-Z type heterotrifunctional poly(ethylene glycol)s | Bioconjugate chemistry |
| 20566062 | 2011-01-01 | Preparation of biocompatible, UV-cured fumarated poly(ether-ester)-based tissue-engineering hydrogels | Journal of biomaterials science. Polymer edition |
| 21133098 | 2010-09-01 | Layered double hydroxide as nanofiller in the development of polyurethane nanocomposites | Journal of nanoscience and nanotechnology |
| 20304636 | 2010-08-01 | Modeling of reaction kinetics for transesterification of palm-based methyl esters with trimethylolpropane | Bioresource technology |
| 19763564 | 2010-01-01 | Engineering of cyclodextrin glucanotransferases and the impact for biotechnological applications | Applied microbiology and biotechnology |
| 19781757 | 2010-01-01 | Investigation of thiol-ene and thiol-ene-methacrylate based resins as dental restorative materials | Dental materials : official publication of the Academy of Dental Materials |
