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Trimethylolpropane structure

Trimethylolpropane

  • CAS:77-99-6
  • MW:134.175
  • MF:C6H14O3
 
1. Names and Identifiers
1.1 Name
Trimethylolpropane
1.2 Synonyms
1,1,1-TRIS(HYDROXYMETHYL)PROPANE, DIST.; 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-; Abbreviation; propylidynetrimethanol; TrimethanolPropane; Trimethylol; Trimethylolpropane, carbamate with tolylene diisocyanate solution; Trimethyloy propane;
1.3 CAS No.
77-99-6
1.5 EINECS
201-074-9
1.6 Molecular Formula
C6H14O3
1.7 Inchi
InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3
1.8 InChkey
ZJCCRDAZUWHFQH-UHFFFAOYSA-N
1.9 Canonical Smiles
CCC(CO)(CO)CO
1.10 Isomers Smiles
CCC(CO)(CO)CO
2. Properties
2.1 Vapour pressure
Relative vapor density (air = 1): 4.63
2.2 VaporPhaseIRSpectra
DIGILAB FTS-14
2.3 VaporDensity
Relative vapor density (air = 1): 4.63
2.4 Autoignition Temperature
~375 °C
2.5 pKa
14.01±0.10(Predicted)
2.6 Water Solubility
SOL IN ALL PROP IN WATER, ALCOHOL; INSOL IN BENZENE, CARBON TETRACHLORIDE
2.7 StorageTemp
Store below +30°C.
3. Use and Manufacturing
3.1 Description
Trimethylolpropane (CAS 77-99-6) is a colorless solid with a molecular formula of C6H14O3. It has a basic structure consisting of three hydroxyl groups attached to a propane backbone. This chemical is highly soluble in water, allowing it to easily dissolve and form a clear solution. Trimethylolpropane has a melting point of approximately 56-58 degrees Celsius and a boiling point of around 200 degrees Celsius. It is also known for its low vapor pressure and stability under normal conditions.

Applicable Fields
Coatings and Adhesives: Trimethylolpropane is commonly used in the production of coatings and adhesives. It serves as a building block for the synthesis of various resins, such as alkyd resins and polyester resins. The mechanism of action involves the crosslinking of polymer chains, resulting in improved durability and adhesion properties.

Polyurethane Industry: In the polyurethane industry, trimethylolpropane is utilized as a polyol component in the production of polyurethane foams, coatings, and elastomers. Its purpose is to provide hydroxyl functionality, which reacts with isocyanates to form polyurethane polymers. The mechanism involves the formation of urethane linkages, resulting in the desired material properties.

Lubricants: Trimethylolpropane is also used as a base material in the production of lubricants. It acts as a multifunctional additive, providing improved viscosity, thermal stability, and oxidation resistance to lubricating oils. The mechanism involves the formation of a protective film on metal surfaces, reducing friction and wear.

Storage Conditions
Store in a cool, dry place.
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. NMR Spectrum
13C NMR : in D2O  
1H NMR : 90 MHz in D2O  
Predict 1H proton NMR  
IR : KBr disc  
IR : liquid film  
IR : nujol mull  
Raman : 4880 A,200 M,powder  
Mass  
Mass spectrum (electron ionization)  
6. Synthesis Route
77-99-6Total: 12 Synthesis Route
 
123-72-8
123-72-8 90 Suppliers
 
77-99-6
77-99-6 249 Suppliers
 
41966-25-0
41966-25-0 2 Suppliers
 
77-99-6
77-99-6 249 Suppliers
7. Precursor and Product
precursor:
product:
8.Other Information
BRN
1698309
Chemical Properties
Trimethylolpropane is a Colorless, hygroscopic crystals. Soluble in water and alcohol. Combustible.The three primary hydroxyl groups undergo the normal OH group reactions.
Uses
Trimethylolpropane acts as a precursor to alkyd resins, high-gloss coatings and ion exchange resins. It is also employed as a multifunctional monomer utilized for the production of coatings, ethoxylated and propoxylated trimethylolpropane derivatives. Further, it serves as a building block in the polymer industry.
Application
Trimethylolpropane is used in saturated polyesters for coil coatings, alkyds for paints, polyurethanes for coatings and elastomers, acrylic acid esters for radiation curing, esters for synthetic lubricants, rosin esters and for surface treatment of pigments.
Large quantities of trimethylolpropane and its ethoxylated derivatives are used as precursors for urethanes and polyester resins. Another important field of application is in medium-oil and short-oil alkyd resins (→ Alkyd Resins). The resulting lacquers are characterized by excellent resistance to alkali, detergents, and water, combined with outstanding impact resistance and flexibility, as well as excellent clearness and clearness retention.
Definition
ChEBI: Trimethylolpropane is a primary alcohol. It is used as a precursor for the manufacture of resins including alkyds, saturated polyesters and polyurethanes (polyester polyol and polycarbonate diol).
Synthesis
Trimethylolpropane is made by the base-catalyzed aldol addition of butyraldehyde with formaldehyde followed by Cannizzaro reaction of the intermediate 2,2-bis(hydroxymethyl) butanal with additional formaldehyde and at least a stoichiometric quantity of base.
synthesis of trimethylolpropane (TMP)
Purification Methods
Crystallise it from acetone and ether and it distils at high vacuum. [Beilstein 1 III 2349.]
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10. Related Questions
What are the Industrial Applications and Health Hazards of Trimethylolpropane?General Description Trimethylolpropane is a versatile chemical widely used in industrial applications, particularly in the production of resins, coatings, and polyurethanes. It enhances the performanc..
What are the characteristics and applications of the polymer of Trimethylolpropane and Diisocyanate?Introduction Trimethylolpropane and the polymer of Diisocyanate have excellent physical properties and chemical stability. The presence of a large number of aminoformate groups in the molecular struct..
What is the significance and usage of Trimethylolpropane?Trimethylolpropane, a white crystalline substance, is easily soluble in water, low carbon alcohols, glycerol, N,N-dimethylformamide, partially soluble in acetone, ethyl acetate, slightly soluble in ca..
What are the Applications and Storage Precautions for Trimethylolpropane?Background Trimethylolpropane (TMP), a white flaky crystal, is a versatile chemical compound. It is soluble in water, low-carbon alcohol, glycerol, N,N-dimethylformamide, and partially soluble in acet..
11. Realated Product Infomation
 
 
 
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