1,1,1-Tris(hydroxymethyl)ethane

Product Information

Molecular Formula:
C5H12O3
Molecular Weight:
120.15
Description
1,1,1-Tris(hydroxymethyl)ethane (CAS# 77-85-0) is a useful research chemical.
Synonyms
2-(hydroxymethyl)-2-methylpropane-1,3-diol
IUPAC Name
2-(hydroxymethyl)-2-methylpropane-1,3-diol
Canonical SMILES
CC(CO)(CO)CO
InChI
InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
InChI Key
QXJQHYBHAIHNGG-UHFFFAOYSA-N
Boiling Point
137 °C / 15 mmHg
Melting Point
201 °C
Flash Point
320.0 °CF
Purity
98+ %
Density
13715 g/cm3
Solubility
Miscible in water and ethanol
Appearance
White to almost white powder to crystal
Application
Used to make varnishes, drying oils, and polyesters for polyurethane foams, alkyd surface coatings, lubricants, and hydraulic fluids; Also used as a heat stabilizer for polyvinyl chloride resins.
LogP
-1.03040
Vapor Pressure
1.7X10-6 mm Hg at 25 °C (est)
Henry's Law Constant
1.1X10-8 atm-cu m/mole at 25 °C (est)

Safety Information

Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
-1.2
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
120.078644241 g/mol
Monoisotopic Mass
120.078644241 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
50.4
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
AU-2018266566-B2 Beta-lactamase inhibitors and uses thereof 2017-05-10
AU-2020227077-A1 Beta-lactamase inhibitors and uses thereof 2017-05-10
EP-2837667-A2 One-component amino resin coating composition 2014-09-29
EP-2808354-A1 Fast drying, hard elastic, scratch-proof and resistant coating compositions 2014-08-08
US-2015374599-A1 Flavour and fragrance compositions comprising acetophenone derivatives 2014-06-30
US-2015376429-A1 Production process for self-dispersible pigment, self-dispersible pigment, ink, ink cartridge and ink jet recording method 2014-06-30
US-2015378272-A1 Image forming method, toner, and image forming apparatus 2014-06-27
WO-2015199980-A2 A method for optimizing a hegman rating of a diluted emulsion, a diluted emulsion produced thereby, and a coating made therefrom 2014-06-27
EP-2959981-A1 A coating system 2014-06-26
WO-2015197552-A1 A coating system 2014-06-26

Literatures

PMID Publication Date Title Journal
21837205 2011-07-01 2-Methyl-3-[(4-methyl-phen-yl)sulfon-yl-oxy]-2-{[(4-methyl-phen-yl)sulfon-yloxy]meth-yl}propyl 4-methyl-benzene-sulfonate Acta crystallographica. Section E, Structure reports online
20497799 2010-04-01 Analysis of bus collision and non-collision incidents using transit ITS and other archived operations data Journal of safety research
19364123 2009-04-20 Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets Inorganic chemistry
18454518 2008-06-02 High-spin Mn4 and Mn10 molecules: large spin changes with structure in mixed-valence MnII4MnIII6 clusters with azide and alkoxide-based ligands Inorganic chemistry
18269222 2008-04-07 Polyols as scaffolds in the development of ion-selective polymer-supported reagents: the effect of auxiliary groups on the mechanism of metal ion complexation Inorganic chemistry
17107084 2006-11-23 1,1,1-tris(hydroxymethyl)ethane as a new, efficient, and versatile tripod ligand for copper-catalyzed cross-coupling reactions of aryl iodides with amides, thiols, and phenols Organic letters
16933897 2006-09-04 Ferromagnetic cobalt metallocycles Inorganic chemistry
16119461 2005-07-01 [The synthesis of thio- and selenoanalogues of phospholipids on the basis of 2-butyl-2-hydroxymethyl-1,3-propanediol] Bioorganicheskaia khimiia
15847425 2005-05-02 High-nuclearity mixed-chelate ferric complexes from a new family of polynuclear precursors Inorganic chemistry
15310221 2004-08-23 Theoretical study of the magnetic behavior of [Fe8] and [Fe16] wheels Inorganic chemistry
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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