Home Other Building Blocks 1,1,1-Tris(hydroxymethyl)ethane

1,1,1-Tris(hydroxymethyl)ethane

CAS No.:
77-85-0
Catalog Number:
AG003D5T
Molecular Formula:
C5H12O3
Molecular Weight:
120.1470
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003D5T
Chemical Name:
1,1,1-Tris(hydroxymethyl)ethane
CAS Number:
77-85-0
Molecular Formula:
C5H12O3
Molecular Weight:
120.1470
MDL Number:
MFCD00004687
IUPAC Name:
2-(hydroxymethyl)-2-methylpropane-1,3-diol
InChI:
InChI=1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
InChI Key:
QXJQHYBHAIHNGG-UHFFFAOYSA-N
SMILES:
OCC(CO)(CO)C
EC Number:
201-063-9
UNII:
5D10NYN23W
NSC Number:
65581
Properties
Complexity:
50.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.079g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
120.148g/mol
Monoisotopic Mass:
120.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Literature
Title Journal
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 20110701
Analysis of bus collision and non-collision incidents using transit ITS and other archived operations data. Journal of safety research 20100401
Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets. Inorganic chemistry 20090420
High-spin Mn4 and Mn10 molecules: large spin changes with structure in mixed-valence MnII4MnIII6 clusters with azide and alkoxide-based ligands. Inorganic chemistry 20080602
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 20080407
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 20061123
Ferromagnetic cobalt metallocycles. Inorganic chemistry 20060904
High-nuclearity mixed-chelate ferric complexes from a new family of polynuclear precursors. Inorganic chemistry 20050502
[The synthesis of thio- and selenoanalogues of phospholipids on the basis of 2-butyl-2-hydroxymethyl-1,3-propanediol]. Bioorganicheskaia khimiia 20050101
Theoretical study of the magnetic behavior of [Fe8] and [Fe16] wheels. Inorganic chemistry 20040823
A novel undecametallic iron(III) cluster with an S = (11)/(2) spin ground state. Inorganic chemistry 20031020
Dodecanuclear and octanuclear manganese rods. Chemical communications (Cambridge, England) 20030607
Self-organized lipid-porphyrin bilayer membranes in vesicular form: nanostructure, photophysical properties, and dioxygen coordination. Chemistry (Weinheim an der Bergstrasse, Germany) 20021202
A new class of single-molecule magnet: [Mn9O7(OAc)11(thme)(py)3(H2O)2] with an S = 17/2 ground state. Chemical communications (Cambridge, England) 20021007
Functional-rhythmical coupling of head and mandibular movements. Journal of oral rehabilitation 20010201
Properties