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
Canonical 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]

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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