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ChemicalBook--->CAS DataBase List--->77-99-6

77-99-6

77-99-6 Structure

77-99-6 Structure
IdentificationMore
[Name]

Trimethylol propane
[CAS]

77-99-6
[Synonyms]

1,1,1-Trihydroxymethylpropane
1,1,1-TRIMETHYLOLPROPANE
1,1,1-TRIS(HYDROXYMETHYL)PROPANE
2,2-BIS(HYDROXYMETHYL)-1-BUTANOL
2,2'-DIHYDROXYMETHYL-1-BUTANOL
2-ETHYL-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL
HEXAGLYCEROL
PROPYLIDYNETRIS(METHANOL)
TMP
TMPHYDRO(R)
TRIS(HYDROXYMETHYL)PROPANE
(propanetriyl)tris-methano
1,1,1-Tris(hydroxy)propane
1,1,1-tris(hydroxymethyl)-propan
2,2-bis(hydroxymethyl)-1-butanol[qr]
2,2-Dihydroxymethylbutanol
2-ethyl-2-(hydroxymethyl)-3-propanediol
2-Ethyl-2-(hydroxymethyl)propanediol
2-ethyl-2-hydroxymethyl-3-propanediol
3-Propanediol,2-ethyl-2-(hydroxymethyl)-1
[EINECS(EC#)]

201-074-9
[Molecular Formula]

C6H14O3
[MDL Number]

MFCD00004694
[Molecular Weight]

134.17
[MOL File]

77-99-6.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless, hygroscopic crystals. Soluble in water and alcohol. Combustible.
[Melting point ]

56-58 °C(lit.)
[Boiling point ]

159-161 °C2 mm Hg(lit.)
[density ]

1.176
[vapor density ]

4.8 (vs air)
[vapor pressure ]

<1 mm Hg ( 20 °C)
[refractive index ]

1.4850 (estimate)
[Fp ]

172 °C
[storage temp. ]

Store below +30°C.
[solubility ]

H2O: 0.1 g/mL, clear
[form ]

Flakes
[pka]

14.01±0.10(Predicted)
[color ]

White
[PH]

6.5 (100g/l, H2O, 20℃)(External MSDS)
[explosive limit]

2-11.8%(V)
[Water Solubility ]

soluble
[BRN ]

1698309
[InChIKey]

ZJCCRDAZUWHFQH-UHFFFAOYSA-N
[LogP]

-0.975 (est)
[Uses]

Conditioning agent, manufacture of varnishes, alkyd resins, synthetic drying oils, urethane foams and coatings, silicone lubricant oils, lactone plasticizers, textile finishes, surfactants, epoxidation products.
[CAS DataBase Reference]

77-99-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-(77-99-6)
[EPA Substance Registry System]

77-99-6(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

1
[RTECS ]

TY6470000
[Autoignition Temperature]

375 °C DIN 51794
[TSCA ]

Yes
[HS Code ]

29054100
[Hazardous Substances Data]

77-99-6(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 2500 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Formaldehyde-->Butyraldehyde-->Film evaporator
[Preparation Products]

Polyurethane-->Toluene diisocyanate-->synthetic fiber oil QDH-101-->Flame retardant for pure-dacron-->TRIMETHYLOLPROPANE MONOALLYL ETHER-->2,2-Bis(hydroxymethyl)butyric acid-->Trimethylolpropane diallyl ether-->2-ethyl-2-(hydroxymethyl)-1,3-propanediyl diacrylate-->Trimethylolpropane Tris(3-mercaptopropionate)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,1,1-Trimethylolpropane(77-99-6).msds
Hazard InformationBack Directory
[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.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Trimethylolpropane(77-99-6)MS
Trimethylolpropane(77-99-6)1HNMR
Trimethylolpropane(77-99-6)13CNMR
Trimethylolpropane(77-99-6)IR1
Trimethylolpropane(77-99-6)IR2
Trimethylolpropane(77-99-6)IR3
Trimethylolpropane(77-99-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, 98%(77-99-6)
[Alfa Aesar]

2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, 98%(77-99-6)
[Sigma Aldrich]

77-99-6(sigmaaldrich)
[TCI AMERICA]

Trimethylolpropane,>98.0%(GC)(77-99-6)
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