1,1,1-Tris(hydroxymethyl)ethane supplier

Name
1,1,1-Tris(hydroxymethyl)ethane
EINECS 201-063-9
CAS No. 77-85-0
Article Data36
CAS DataBase
Density 1.159 g/cm³
Solubility soluble in water
Melting Point 193-195 °C(lit.)
Formula C₅H₁₂O₃
Boiling Point 286.7 °C at 760 mmHg
Molecular Weight 120.148
Flash Point 145.5 °C
Transport Information
Appearance White crystals.
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1,1-Trimethanolethane;1,1,1-Trimethylolethane;1,1,1-Tris(methylol)ethane;2,2-Bis(hydroxymethyl)-1-propanol;2,2-Di(hydroxymethyl)propanol;2-(Hydroxymethyl)-2-methyl-1,3-propanediol;2-Methyl-2-hydroxymethyl-1,3-propanediol;Ethane, 1,1,1-tris(hydroxymethyl)-;Methriol;Methyltrimethanolmethane;Metriol;NSC 65581;Pentaglycerine;TME;Trimet;Trimethylolethane;1,3-Propanediol, 2- (hydroxymethyl)-2-methyl-;
PSA 60.69000
LogP -1.03040

Synthetic route

: trimethyl-(2,2,5-trimethyl-[1,3]dioxan-5-ylmethoxy)-silane

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In water at 30℃; for 24h;	100%

copper-II acetate: copper-II acetate

: 123-38-6
propionaldehyde

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With sodium hydroxide; formaldehyd; triethylamine; Ni-Cr-Al In acetone	81.4%

: 84051-79-6
1,1,1-Trimethylolethane dinitrate

A: 3143-02-0
3-hydroxymethyl-3-methyloxethane

B: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

C: 625-58-1
ethyl nitrate

D: 84051-80-9
1,1,1-Trimethylolethane mononitrate

E: 84051-81-0
3-methyl-3-(nitroxymethyl)oxetane

F NO2- (5.2percent), NO3-: NO2- (5.2percent), NO3-

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 55℃; for 3.10833h; Product distribution; Rate constant; var. NaOH conc.;	A 13% B 0.7% C n/a D 24% E 66% F n/a

...Expand

: 3032-55-1
trimethylolethane trinitrate

A: 3143-02-0
3-hydroxymethyl-3-methyloxethane

B: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

C: 84051-80-9
1,1,1-Trimethylolethane mononitrate

D: 84051-79-6
1,1,1-Trimethylolethane dinitrate

E: 84051-81-0
3-methyl-3-(nitroxymethyl)oxetane

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water at 55℃; for 86.1667h; Product distribution; Rate constant; Thermodynamic data; var. NaOH conc., var. solv., solv. effect, ΔH(excit.), ΔF(excit.), ΔS(excit.);	A 45.5% B 2.3% C 31.8% D 1.5% E 16.5%

...Expand

: 50-00-0
formaldehyd

: 119-61-9
benzophenone

: 60-29-7
diethyl ether

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: 2163-42-0
2-methyl-1.3-propanediol

Conditions

Conditions	Yield
Irradiation;

...Expand

: 50-00-0
formaldehyd

: 119-61-9
benzophenone

: 60-29-7
diethyl ether

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: 2163-42-0
2-methyl-1.3-propanediol

C: 116-09-6
hydroxy-2-propanone

Conditions

Conditions	Yield
Sonnenlicht.Irradiation;

...Expand

: 50-00-0
formaldehyd

: 74-85-1
ethene

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With sulfuric acid; acetic acid at 130 - 140℃; entsteht das Triacetat;

: 50-00-0
formaldehyd

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With benzophenone; diethyl ether bei wochenlangem Belichten mit Sonnenlicht;

: 85963-60-6
1,3-Diiod-2-(iodmethyl)-2-methylpropan

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With hydrazine hydrate at 140℃;

: 18516-18-2
3-hydroxy-2-(hydroxymethyl)-2-methylpropanal

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With aluminium amalgam
With potassium carbonate
Stage #1: 3-hydroxy-2-(hydroxymethyl)-2-methylpropanal With hydrogen In methanol at 60 - 110℃; under 15001.5 - 45004.5 Torr; Stage #2: With hydrogen at 140 - 180℃; under 15001.5 - 45004.5 Torr; Temperature;

: 18516-18-2
3-hydroxy-2-(hydroxymethyl)-2-methylpropanal

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: 4767-03-7
2,2-bis(hydroxymethyl)propionic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 50-00-0
formaldehyd

: 123-38-6
propionaldehyde

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 89364-52-3
1-bromo-3-chloro-2-chloromethyl-2-methyl-propane

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
(hydrolysis);

: 50-00-0
formaldehyd

: 123-38-6
propionaldehyde

quicklime: quicklime

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

...Expand

: 50-00-0
formaldehyd

: 123-38-6
propionaldehyde

alcoholic potash: alcoholic potash

A: 64-18-6
formic acid

B: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

C: 100911-59-9
2-hydroxymethyl-2-methyl-pentane-1,3-diol

...Expand

: 127-09-3
sodium acetate

: 56-81-5
glycerol

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: 627-82-7
diglycerol

C triglycerol: triglycerol

D tetraglycerol: tetraglycerol

Conditions

Conditions	Yield
weitere Produkte: Hexaglycerin; Heptaglycerin; 2.5(oder 2.6)-Bis-oxymethyl-dioxan-(1.4);

...Expand

: 50-00-0
formaldehyd

2-methyl-pent-2ξ-enal: 2-methyl-pent-2ξ-enal

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With calcium hydroxide; water
With water; sodium carbonate
With sodium hydroxide; water

: 85963-60-6
1,3-Diiod-2-(iodmethyl)-2-methylpropan

: 7803-57-8
hydrazine hydrate

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
at 140℃;

: 18516-18-2
3-hydroxy-2-(hydroxymethyl)-2-methylpropanal

amalgamated sheet aluminium: amalgamated sheet aluminium

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 18516-18-2
3-hydroxy-2-(hydroxymethyl)-2-methylpropanal

alcoholic potash: alcoholic potash

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: 4767-03-7
2,2-bis(hydroxymethyl)propionic acid

...Expand

: 3663-46-5
5-hydroxymethyl-2,2,5-trimethyl-1,3-dioxane

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent / Et3N / CH2Cl2 / 6 h / Heating 2: 100 percent / sodium tetrakis(3,5-trifluoromethylphenyl)borate dihydrate / H2O / 24 h / 30 °C View Scheme
With C64H60Au2N12(2+)*2F6P(1-); water at 20℃; for 6h;

: 126-58-9
Dipentaerythritol

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: red phosphorus; acetic acid anhydride; HI / 140 °C 2: hydrazine hydrate / 140 °C View Scheme

: 1163693-67-1
2-methyl-3-(4-methylbenzoyloxy)-2-((4-(trifluoromethyl)benzoyloxy)methyl)propyl 3,5-bis(trifluoromethyl)benzoate

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With methanol; samarium diiodide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide Reflux;

: 3143-02-0
3-hydroxymethyl-3-methyloxethane

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
Stage #1: 3-hydroxymethyl-3-methyloxethane With hydrogenchloride; 4-Nitrobenzylpyridin; water In 1,4-dioxane Stage #2: With triethylamine In 1,4-dioxane

: (4-(5-(hydroxymethyl)-5-methyl-1,3,2-dioxaborinan-2-yl)phenyl)methanol

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: 623-05-2
(4-hydroxyphenyl)methanol

Conditions

Conditions	Yield
With water; dihydrogen peroxide In aq. phosphate buffer at 37℃; pH=7.4; Kinetics; Concentration; Reagent/catalyst; pH-value;

: C5H9O3(3-)*Sb(3+)

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

Conditions

Conditions	Yield
With water-d2 In dimethylsulfoxide-d6 Glovebox;

: C10H18MnMo6O24(3-)*3Li(1+)

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: molybdenum(VI) ion

Conditions

Conditions	Yield
With methanol Reagent/catalyst;

: C10H18MnMo6O24(3-)*3Na(1+)

A: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

B: molybdenum(VI) ion

Conditions

Conditions	Yield
With water Kinetics;

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 98-59-9
p-toluenesulfonyl chloride

: 2387-43-1
2-methyl-2-((tosyloxy)methyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)

Conditions

Conditions	Yield
With pyridine at 20℃; for 16h; Inert atmosphere;	100%
With pyridine at 0 - 20℃;	90%
With pyridine In chloroform	81%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 170996-99-3
[2,2-bis(trifluoromethyl)-5-oxo-1,3-oxathiolan-4-yl]-acetyl chloride

: 1,1,1-tris(hydroxymethyl)ethane tris{2'-[2,2-bis(trifluoromethyl)-5-oxo-1,3-oxathiolan-4-yl]acetate}

Conditions

Conditions	Yield
In toluene for 72h; Heating;	100%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 103-71-9
phenyl isocyanate

: 292157-64-3
1,1,1-tris[(N-phenylcarbamoyloxy)methyl]ethane

Conditions

Conditions	Yield
With MoCl2O2(dmf)2 In dichloromethane for 1h; Inert atmosphere; Reflux;	100%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 1423007-27-5
(2-chloro-4-{N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]methanesulfonamido}phenyl)boronic acid

: 1-(2-chloro-4-(N-(5-cycloroyl-2-(4-fluorohenyl)-3-(methylcarbamoyl)benzofuran-6-yl)methylsulfonamido)henyl)-4-methyl-2,6,7-trioxa-1-borabicyclo[2.2.2]octan-1-uide potassium salt

Conditions

Conditions	Yield
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; (2-chloro-4-{N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]methanesulfonamido}phenyl)boronic acid In tetrahydrofuran for 4h; Molecular sieve; Reflux; Stage #2: With potassium tert-butylate In tetrahydrofuran at 0 - 20℃;	100%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 1423007-27-5
(2-chloro-4-{N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]methanesulfonamido}phenyl)boronic acid

: 1-(4-{N-[3-carbamoyl-5-cyclopropyl-2-(4-fluorophenyl)-1-benzofuran-6-yl]methanesulfonamido}-2-chlorophenyl)-4-methyl-2,6,7-trioxa-1-borabicyclo[2.2.2]octan-1-uide potassium salt

Conditions

Conditions	Yield
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; (2-chloro-4-{N-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]methanesulfonamido}phenyl)boronic acid In tetrahydrofuran for 4h; Reflux; Stage #2: With potassium tert-butylate In tetrahydrofuran at 0 - 20℃;	100%

: 1445-45-0
Trimethyl orthoacetate

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: C7H16O3

Conditions

Conditions	Yield
With trifluoroacetic acid In dimethylsulfoxide-d6 at 20℃; for 1h;	100%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 107-13-1
acrylonitrile

: 60758-55-6
3,3'-((2-((2-cyanoethoxy)methyl)-2-methylpropane-1,3-diyl)bis(oxy))-dipropanenitrile

Conditions

Conditions	Yield
With sodium hydroxide Ambient temperature;	99%
With potassium hydroxide In 1,4-dioxane at 25℃; for 20h;	83%
With sodium hydroxide In water at 0 - 20℃; Michael Addition;	75%

: 2786-07-4
2-thienyl lithium

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: LiCH3C(CH2O)3B(2-thienyl)

Conditions

Conditions	Yield
Stage #1: 2-thienyl lithium With Triisopropyl borate In tetrahydrofuran; hexane at -78℃; Stage #2: 2-(hydroxymethyl)-2-methylpropane-1,3-diol In tetrahydrofuran; hexane Further stages.;	99%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 1765-93-1
4-fluoroboronic acid

: 1014716-67-6
4-FC6H4B(OCH2)2C(CH3)CH2OH

Conditions

Conditions	Yield
In toluene	99%
byproducts: H2O;	99%
In toluene for 3h;
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; 4-fluoroboronic acid In dichloromethane at 20℃; for 0.5h; Inert atmosphere; Stage #2: With magnesium sulfate In dichloromethane at 20℃; for 0.25h; Inert atmosphere;

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 1014716-70-1
4-CF3C6H4B(OCH2)2C(CH3)CH2OH

Conditions

Conditions	Yield
In toluene	99%
byproducts: H2O;	99%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 94839-07-3
3,4-(methylenedioxy)-benzeneboronic acid

: 1014716-56-3
3,4-O2CH2C6H3B(OCH2)2C(CH3)CH2OH

Conditions

Conditions	Yield
In toluene	99%
byproducts: H2O;	99%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 193978-23-3
2-thiopheneboronic acid pinacol ester

: C4H3SB(OCH2)3CCH3(1-)*Na(1+)=NaC4H3SB(OCH2)3CCH3

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 60℃; for 16h; Inert atmosphere;	99%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 193978-23-3
2-thiopheneboronic acid pinacol ester

: 1310-73-2
sodium hydroxide

: C4H3SB(OCH2)3CCH3(1-)*Na(1+)=NaC4H3SB(OCH2)3CCH3

Conditions

Conditions	Yield
In 1,4-dioxane 1.0 equiv. NaOH, 3 equiv. H2O, 60°C; stirred for 16 h; chromy.;	99%

...Expand

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 67-64-1
acetone

: 3663-46-5
5-hydroxymethyl-2,2,5-trimethyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 20℃; for 48h; Inert atmosphere;	98%
With toluene-4-sulfonic acid for 48h; Ambient temperature;	96%
With toluene-4-sulfonic acid at 20℃; for 24h;	92%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 112-82-3
hexadecanyl bromide

: 166384-15-2
2,2-Bis(hexadecyloxymethyl)propan-1-ol

Conditions

Conditions	Yield
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol With sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h; Metallation; Stage #2: hexadecanyl bromide In N,N-dimethyl-formamide at 50℃; for 44h; Etherification; Further stages.;	98%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 3663-46-5
5-hydroxymethyl-2,2,5-trimethyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 20℃; for 48h; Inert atmosphere;	98%
With potassium carbonate; toluene-4-sulfonic acid In acetone
With p-toluenesulfonic acid monohydrate; sodium acetate In acetone; Petroleum ether

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 27668-52-6
octadecyldimethyl[3-(trimethoxysilyl)propyl]ammonium chloride

: C38H82NO9Si(1+)*Cl(1-)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 145℃;	98%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 77-76-9
2,2-dimethoxy-propane

: 3663-46-5
5-hydroxymethyl-2,2,5-trimethyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In tetrahydrofuran for 1h;	97%
With 4 A molecular sieve; toluene-4-sulfonic acid In chloroform for 17h; Heating;	96%
With toluene-4-sulfonic acid In chloroform for 17h; Heating;	96%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 408492-29-5
methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

: Na(3-Cl-5-(MeO2C)-C6H3B(OCH2)3CCH3)

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 30℃; for 16h; Inert atmosphere;	97%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 1310-73-2
sodium hydroxide

: 408492-29-5
methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

: Na(3-Cl-5-(MeO2C)-C6H3B(OCH2)3CCH3)

Conditions

Conditions	Yield
In 1,4-dioxane 1.0 equiv. NaOH, 3 equiv. H2O, 30°C; stirred for 16 h; chromy.;	97%

...Expand

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 917-54-4
methyllithium

: lithium methyltriolborate

Conditions

Conditions	Yield
Stage #1: methyllithium With Triisopropyl borate In diethyl ether at -78 - 20℃; for 8.5h; Inert atmosphere; Stage #2: 2-(hydroxymethyl)-2-methylpropane-1,3-diol In diethyl ether at 60℃; for 1h; Inert atmosphere;	97%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 2623-95-2
2-bromodecanoic acid

: C35H66O9

Conditions

Conditions	Yield
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol With sodium hydride In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #2: 2-bromodecanoic acid In tetrahydrofuran at 65℃; for 24.5h; Cooling with ice; Inert atmosphere;	97%
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 1h; Stage #2: 2-bromodecanoic acid In tetrahydrofuran; mineral oil at 0 - 65℃;

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 78-40-0
triethyl phosphate

: 126-58-9
Dipentaerythritol

: 122-52-1
triethyl phosphite

: C16H34O15P4

Conditions

Conditions	Yield
Stage #1: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; Dipentaerythritol; triethyl phosphite at 85℃; for 5h; Inert atmosphere; Stage #2: triethyl phosphate With Isobutyl bromide at 185℃; for 16h;	96.1%

...Expand

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 108-24-7
acetic anhydride

: 13431-59-9
1,1,1-Tris(acetoxymethyl)ethane

Conditions

Conditions	Yield
With In(OSO2CF3)3 In acetonitrile at 20℃; Acetylation;	96%
With sodium acetate
With dmap; triethylamine

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 2428-06-0
2-chloro-5,5-dimethyl-[1,3,2]dioxaphosphinane

: C20H39O9P3

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 15h; Ambient temperature;	96%
With triethylamine at 20℃; for 1.5h;	1.23 g

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 124-07-2
Octanoic acid

: 67874-06-0
2-(hydroxymethyl)-2-methyl-1,3-propanediol trioctanoate

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	96%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 142-62-1
hexanoic acid

: 74634-68-7
Trimethylolpropane tricaproate

Conditions

Conditions	Yield
With pyridine; <(chlorosulfinyloxy)methylene>dimethylammonium chloride In dichloromethane at 20℃; for 6h;	96%

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 5720-05-8
4-methylphenylboronic acid

: 1014716-63-2
4-MeC6H4B(OCH2)2C(CH3)CH2OH

Conditions

Conditions	Yield
In toluene	96%
byproducts: H2O;	96%
In toluene for 4h; Reflux;

: 77-85-0
2-(hydroxymethyl)-2-methylpropane-1,3-diol

: 401797-02-2
2-(3,4-dichlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: Na(3,4-(Cl2)-C6H3B(OCH2)3CCH3)

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 30℃; for 16h; Inert atmosphere;	96%

1,1,1-Tris(hydroxymethyl)ethane Specification

The 1,1,1-Tris(hydroxymethyl)ethane, with the CAS registry number 77-85-0 and EINECS registry number 201-063-9, has the systematic name and IUPAC name of 2-(hydroxymethyl)-2-methylpropane-1,3-diol. It is a kind of white crystalline powder, crystals and/or chunks, and belongs to the product category of Industrial/Fine Chemicals. And the molecular formula of this chemical is C₅H₁₂O₃. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of 1,1,1-Tris(hydroxymethyl)ethane are as following: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.21; (8)ACD/KOC (pH 7.4): 4.21; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 29.78 cm³; (15)Molar Volume: 103.6 cm³; (16)Polarizability: 11.8×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.159 g/cm³; (19)Flash Point: 145.5 °C; (20)Enthalpy of Vaporization: 61.03 kJ/mol; (21)Boiling Point: 286.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000292 mmHg at 25°C.

Preparation of 1,1,1-Tris(hydroxymethyl)ethane: It can be prepared by disproportionative condensation method. And the reaction is as follows: (1)Formaldehyde reacts with propionaldehyde to give 2,2-dimethylol propionaldehyde. And it is an aldol condensation reaction. (2)2,2-Dimethylol propionaldehyde reacts with dormaldehyde, and it is a cannizzaro reaction.

Uses of 1,1,1-Tris(hydroxymethyl)ethane: It is often used as raw material of alkyd resin, polyurethane resin, top-grade paint and coating. It is also used as thermal storage material. What's more, it plays a role in the preparation of plasticizers, surface active agent. advanced lubricants, liquid fuel additives, diluents.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(C)(CO)CO
(2)InChI: InChI=1/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3
(3)InChIKey: QXJQHYBHAIHNGG-UHFFFAOYAS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LDLo	oral	7500mg/kg (7500mg/kg)		National Technical Information Service. Vol. OTS0555808,

Product Name

1,1,1-Tris(hydroxymethyl)ethane

Synthetic route

1,1,1-Tris(hydroxymethyl)ethane Specification

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