Trimethylol propane

Molecule structure of Hexaglycerine (CAS NO.77-99-6):

IUPAC Name: 2-Ethyl-2-(hydroxymethyl)propane-1,3-diol
Molecular Formula: C₆H₁₄O₃
Formula Weight: 134.17356 g/mol
Density: 1.116 g/cm³ 
Melting Point: 56-58 °C(lit.)
Boiling Point: 295.7 °C at 760 mmHg 
Flash Point: 147.7 °C
Index of Refraction: 1.484
Molar Refractivity: 34.41 cm³
Molar Volume: 120.1 cm³
Surface Tension: 47.9 dyne/cm 
Enthalpy of Vaporization: 62.12 kJ/mol
Vapour Pressure: 0.000155 mmHg at 25 °C 
Solubility H₂O: 0.1 g/mL, clear
XLogP3-AA: -0.8
H-Bond Donor: 3
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 134.094294
MonoIsotopic Mass: 134.094294
Topological Polar Surface Area: 60.7 
Canonical SMILES: CCC(CO)(CO)CO
InChI: InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
InChIKey: ZJCCRDAZUWHFQH-UHFFFAOYSA-N
EINECS: 201-074-9

 Hexaglycerine (CAS NO.77-99-6) is widely used in polyester and polyurethane foam production, but also for alkyd coatings, synthetic lubricants, plasticizers, surfactants, rosin esters and the manufacture of explosives.

 N-butyraldehyde makes aldol reaction with formaldehyde under alkaline conditions, then desalting the concentrated reaction solution, then decoloring with the ion-exchange resin and purifying. At last, evaporating with the thin-film evaporator, cooling and rolling film, we can obtain Hexaglycerine .

Reported in EPA TSCA Inventory.

Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: TY6470000
HS Code: 29054100
Mildly toxic by ingestion. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

 Hexaglycerine (CAS NO.77-99-6) is also named as 1,1,1-Tri(hydroxymethyl)propane ; 1,1,1-Trimethylolpropane ; 1,1,1-Tris(hydroxymethyl)propane ; 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)- ; 2,2-Bis(hydroxymethyl)-1-butanol ; 2-Ethyl-2-(hydroxymethyl)propanediol ; 4-01-00-02786 (Beilstein Handbook Reference) ; AI3-24124 ; BRN 1698309 ; Ethriol ; Ethyltrimethylolmethane ; Etriol ; Ettriol ; HSDB 5218 ; Hexaglycerol ; Methanol, (propanetriyl)tris- ; NSC 3576 ; Propane, 1,1,1-tris(hydroxymethyl)- ; TMP ; TMP (VAN) ; TMP (alcohol) ; Tri(hydroxymethyl)propane ; Trimethylolpropane ; Tris(hydroxymethyl)propane ; UNII-090GDF4HBD . Hexaglycerine (CAS NO.77-99-6) is crystalline flakes. It is soluble in water, lower alcohol, glycerin, N, N-dimethylformamide, some soluble in acetone, ethyl acetate, slightly soluble in carbon tetrachloride, ether and chloroform, but insoluble in aliphatic hydrocarbons, Aromatic hydrocarbons and chlorinated hydrocarbons .