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77-99-6

Basic Information
CAS No.: 77-99-6
Name: Trimethylol propane
Molecular Structure:
Molecular Structure of 77-99-6 (Trimethylol propane)
Formula: C6H14O3
Molecular Weight: 134.20
Synonyms: NSC 3576;Propane,1,1,1-tris(hydroxymethyl)-;RC Crosslinker TR;TMP;TMP (alcohol);Hexaglycerine;Tris(hydroxymethyl)propane;Trimethylol Propane (TMP);1,1,1-Tri(hydroxymethyl)propane;1,1,1-Trimethylolpropane;1,1,1-Tris(hydroxymethyl)propane;2,2-Bis(hydroxymethyl)-1-butanol;2-Ethyl-2-(hydroxymethyl)-1,3-propanediol;2-Ethyl-2-(hydroxymethyl)propanediol;Addolink TR;Ethriol;Ethyltrimethylolmethane;Ettriol;
EINECS: 201-074-9
Density: 1.116 g/cm3
Melting Point: 56-58 °C(lit.)
Boiling Point: 295.7 °C at 760 mmHg
Flash Point: 147.7 °C
Solubility: soluble in water
Appearance: white crystalline flakes
Hazard Symbols:
Risk Codes:
Safety: 22-24/25
Transport Information:
PSA: 60.69000
LogP: -0.64030
Synthetic route
50-00-0

formaldehyd

123-72-8

butyraldehyde

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With water; sodium hydroxide In ethanol at 55℃; for 0.0833333h; Temperature;90%
With calcium hydroxide
With sodium hydroxide In water at 40 - 60℃; for 0.75h;
123-72-8

butyraldehyde

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With sodium hydroxide; formaldehyd; triethylamine; Ni-Cr-Al88.5%
With formaldehyd; triethylamine In water82.77%
With formaldehyd; triethylamine In water81.59%
41966-25-0

2,2-dimethylolbutanal

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With hydrogen at 115℃; under 22502.3 Torr; for 8h;84.8%
With hydrogen; Cu/TiO2 catalyst B of PCT/WO 02/85825; activated at 110℃; under 67506.8 Torr; for 2112h; Conversion of starting material;
With hydrogen; citric acid; activated Cu/TiO2 catalyst J PCT/WO 99/44974 In water at 120℃; under 60006 Torr; Conversion of starting material;
With hydrogen at 120℃; under 22502.3 Torr;
copper-II acetate

copper-II acetate

7397-44-6

tris-methylamino-borane

123-72-8

butyraldehyde

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With triethylamine In methanol; formaldehyd74.6%
922-63-4

ethylacrolein

50-00-0

formaldehyd

A

bis-TMP

B

77-99-6

1,1,1-tri(hydroxymethyl)propane

C

23235-61-2

3,3,7,7-tetra(hydroxymethyl)-5-oxanonane

Conditions
ConditionsYield
In water at 96 - 100℃; for 3.3h;A 2%
B 67.5%
C 15%
1313-99-1

nickel(II) oxide

Al2 O3

Al2 O3

123-72-8

butyraldehyde

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With formaldehyd; triethylamine14%
103205-80-7

2-hydroxymethyl-2-vinyl-propane-1,3-diol

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With palladium on activated charcoal; ethanol Hydrogenation;
95461-66-8

2,2-bis(hydroxymethyl)-1,4-butanediol

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sodium acetate
2: 500 °C
3: barium methylate; methanol
4: palladium/charcoal; ethanol / Hydrogenation
View Scheme
105790-11-2

4-acetoxy-3,3-bis-acetoxymethyl-but-1-ene

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: barium methylate; methanol
2: palladium/charcoal; ethanol / Hydrogenation
View Scheme

1,4-diacetoxy-2,2-bis-acetoxymethyl-butane

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 500 °C
2: barium methylate; methanol
3: palladium/charcoal; ethanol / Hydrogenation
View Scheme
50-00-0

formaldehyd

123-72-8

butyraldehyde

A

bis-TMP

B

77-99-6

1,1,1-tri(hydroxymethyl)propane

C

23235-61-2

3,3,7,7-tetra(hydroxymethyl)-5-oxanonane

Reaxys ID: 11464418

Reaxys ID: 11464418

A

77-99-6

1,1,1-tri(hydroxymethyl)propane

B

23235-61-2

3,3,7,7-tetra(hydroxymethyl)-5-oxanonane

C

5187-23-5

5-ethyl-1,3-dioxane-5-methanol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In water at 90℃; for 6h;A n/a
B 5.9 g
C n/a
With toluene-4-sulfonic acid In water at 90℃; for 6h;A n/a
B 15.2 g
C n/a
crude TMP

crude TMP

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
Stage #1: crude TMP With phosphoric acid at 150℃; under 50 Torr; for 1h;
Stage #2: With phosphoric acid at 180℃; for 1h;
41966-25-0

2,2-dimethylolbutanal

A

67-56-1

methanol

B

77-99-6

1,1,1-tri(hydroxymethyl)propane

C

58828-90-3

trimethylamine-formic acid complex

Conditions
ConditionsYield
With hydrogen In water at 115℃; under 67506.8 Torr;
110-89-4

piperidine

2591-86-8

N-Formylpiperidine

77-99-6

1,1,1-tri(hydroxymethyl)propane

108-30-5

succinic acid anhydride

6066-82-6

1-hydroxy-pyrrolidine-2,5-dione

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With pyridine In 5,5-dimethyl-1,3-cyclohexadiene; dichloromethane
50-00-0

formaldehyd

41966-25-0

2,2-dimethylolbutanal

A

77-99-6

1,1,1-tri(hydroxymethyl)propane

B

141-53-7

sodium formate

Conditions
ConditionsYield
With sodium hydroxide In water at 45 - 50℃; for 3.75 - 4.25h; Product distribution / selectivity; Cannizzaro Reaction;
50-00-0

formaldehyd

123-72-8

butyraldehyde

A

922-63-4

ethylacrolein

B

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With water; sodium carbonate at 73 - 84℃; Product distribution / selectivity;
With sodium carbonate In water Reagent/catalyst; Temperature; Concentration; Reflux;A 58 g
B 15 g
922-63-4

ethylacrolein

50-00-0

formaldehyd

A

77-99-6

1,1,1-tri(hydroxymethyl)propane

B

23235-61-2

3,3,7,7-tetra(hydroxymethyl)-5-oxanonane

Conditions
ConditionsYield
Stage #1: ethylacrolein; formaldehyd In water at 100℃;
Stage #2: With sodium hydroxide In water at 100℃; Reagent/catalyst; Time; Concentration;
A 253 g
B 66 g

C6H11O3(3-)*Sb(3+)

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With water-d2 In dimethylsulfoxide-d6 Glovebox;
50-00-0

formaldehyd

123-72-8

butyraldehyde

A

77-99-6

1,1,1-tri(hydroxymethyl)propane

B

41966-25-0

2,2-dimethylolbutanal

Conditions
ConditionsYield
With triethylamine at 35℃; for 3h; Cannizzaro Reaction;
50-00-0

formaldehyd

123-72-8

butyraldehyde

A

67-56-1

methanol

B

77-99-6

1,1,1-tri(hydroxymethyl)propane

Conditions
ConditionsYield
With potassium hydroxide In water at 60℃; for 1h; Temperature; Cannizzaro Reaction;A 11.71 %Chromat.
B 76.63 %Chromat.
77-99-6

1,1,1-tri(hydroxymethyl)propane

107-05-1

3-chloroprop-1-ene

682-08-6

trimethylolpropane triallyl ether

Conditions
ConditionsYield
With sodium hydroxide; sodium chloride; tetrabutylammomium bromide In toluene100%
With sodium hydroxide; tetrabutylammomium bromide 1.) water, 80 deg C, 0.5 h, 2.) 80 deg C, 7 h; Yield given. Multistep reaction;
With sodium hydroxide; tetrabutylammomium bromide In water at 45℃; for 22h; Allylation;
With tetrabutylammomium bromide; sodium hydroxide at 45℃; for 22h;
4870-65-9

2-bromophenylacetic acid

77-99-6

1,1,1-tri(hydroxymethyl)propane

Bromo-phenyl-acetic acid 2,2-bis-(2-bromo-2-phenyl-acetoxymethyl)-butyl ester

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene at 110℃;100%
77-99-6

1,1,1-tri(hydroxymethyl)propane

5455-98-1

2-oxiranylmethylisoindole-1,3-dione

556-52-5

oxiranyl-methanol

C72H107N3O34

Conditions
ConditionsYield
Stage #1: 1,1,1-tri(hydroxymethyl)propane With potassium tert-butylate In tetrahydrofuran at 120℃; for 18h; Inert atmosphere;
Stage #2: oxiranyl-methanol In tetrahydrofuran at 120℃; for 0.5h; Inert atmosphere;
Stage #3: 2-oxiranylmethylisoindole-1,3-dione In tetrahydrofuran at 120℃; Inert atmosphere;
100%
77-99-6

1,1,1-tri(hydroxymethyl)propane

600-17-9

vinyl glycolic acid

C18H26O9

Conditions
ConditionsYield
With salicylaldehyde In toluene at 100℃; for 14h; Catalytic behavior; Reagent/catalyst; Inert atmosphere;100%
77-99-6

1,1,1-tri(hydroxymethyl)propane

90-02-8

salicylaldehyde

22251-64-5

2-[(5-ethyl-5-hydroxymethyl)-1,3-dioxan-2-yl]phenol

Conditions
ConditionsYield
With sulfuric acid at 80℃;100%
77-99-6

1,1,1-tri(hydroxymethyl)propane

105-58-8

Diethyl carbonate

A

trimethylolpropane cyclic monocarbonate

B

1286272-49-8

C9H18O5

Conditions
ConditionsYield
With Novozym435 at 60℃; for 48h; Molecular sieve; Enzymatic reaction; neat (no solvent);A 6%
B 99.4%
77-99-6

1,1,1-tri(hydroxymethyl)propane

67-64-1

acetone

20761-68-6

1,3-dioxa-5-ethyl-2,2-dimethyl-5-cyclohexylmethanol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In water; Petroleum ether for 10h; Reflux;99%
With toluene-4-sulfonic acid at 20℃; for 16h;78%
With toluene-4-sulfonic acid In Petroleum ether Heating;76%
77-99-6

1,1,1-tri(hydroxymethyl)propane

1821-12-1

4-Phenylbutyric acid

1,1,1-tri(4-phenylbutyroxymethyl)propane

Conditions
ConditionsYield
tetrachlorobis(tetrahydrofuran)hafnium(IV) In toluene for 24h; Heating;99%
With molecualar sevies 4A; tetrachlorobis(tetrahydrofuran)hafnium(IV) In toluene at 120℃; for 24h;99%
77-99-6

1,1,1-tri(hydroxymethyl)propane

1067-52-3

tributyltin methoxide

79428-57-2

1,1,1-tris(tributyltinoxymethyl) propane

Conditions
ConditionsYield
In neat (no solvent) 1,1,1-trymethylolpropane to methoxytributyltin ratio 1:3; mixed, heatedat 100-150°C for 1 h at P=50 mm; evacuated to P=1 mm for 0.5 h, heated at 190-220°C; distd., IR, elem. anal.;99%
77-99-6

1,1,1-tri(hydroxymethyl)propane

C27H43N3O13

C87H137N9O39

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; acetonitrile at 20℃;99%
77-99-6

1,1,1-tri(hydroxymethyl)propane

814-68-6

acryloyl chloride

15625-89-5

2-((acryloyloxy)methyl)-2-ethylpropane-1,3-diyl diacrylate

Conditions
ConditionsYield
With 4-methoxy-phenol; triethylamine; hydroquinone at 60℃; for 2h; Temperature;98.38%
In pyridine; benzene at 50℃; for 30h;81%
With pyridine In benzene at 50℃; for 30h;81%
77-99-6

1,1,1-tri(hydroxymethyl)propane

637-88-7

1,4-Cyclohexanedione

C18H32O6

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene at 90 - 112℃; for 10h; Reagent/catalyst; Solvent; Dean-Stark;98%
50-00-0

formaldehyd

77-99-6

1,1,1-tri(hydroxymethyl)propane

5187-23-5

5-ethyl-1,3-dioxane-5-methanol

Conditions
ConditionsYield
With cationite KU-2 In benzene Reflux; Dean-Stark;97%
With toluene-4-sulfonic acid In toluene for 4h; Heating;95%
With toluene-4-sulfonic acid In toluene for 4h; Heating;95%
With toluene-4-sulfonic acid In tetrahydrofuran for 3h; Reflux;93%
With toluene-4-sulfonic acid
77-99-6

1,1,1-tri(hydroxymethyl)propane

929-10-2

isooctanoic acid

C30H56O6

Conditions
ConditionsYield
With chlorosulfonic acid; 3,5-dichloro-2-hydroxybenzenesulfonyl chloride; 3-methylimidazoletrifluoromethanesulfonate; toluene-4-sulfonic acid In tetrahydrofuran; propan-1-ol at 200℃; for 10h; Temperature; Large scale;97%
77-99-6

1,1,1-tri(hydroxymethyl)propane

98-59-9

p-toluenesulfonyl chloride

A

C20H26O7S2

B

6962-93-2

2-ethyl-2-((tosyloxy)methyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)

Conditions
ConditionsYield
With pyridine at -5 - 20℃; for 48h;A n/a
B 96.5%
111-20-6

1,10-decanedioic acid

77-99-6

1,1,1-tri(hydroxymethyl)propane

hydrogenated castor oil

hydrogenated castor oil

polymer, product of polycondensation of 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, sebacic acid, and hydrogenated castor oil

polymer, product of polycondensation of 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, sebacic acid, and hydrogenated castor oil

Conditions
ConditionsYield
With dibutyltin(II) dilaurate at 180 - 200℃;96.4%
77-99-6

1,1,1-tri(hydroxymethyl)propane

999-97-3

1,1,1,3,3,3-hexamethyl-disilazane

17940-81-7

tris((trimethylsiloxy)methyl)propane

Conditions
ConditionsYield
With activated clay at 60 - 70℃; for 3h;96.4%
77-99-6

1,1,1-tri(hydroxymethyl)propane

4-(1,3-diacetoxypropan-2-yloxy)-4-oxobutanoic acid

C39H56O24

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0 - 25℃; for 24.5h;96%
77-99-6

1,1,1-tri(hydroxymethyl)propane

36239-09-5

ethyl chlorocarbonylacetate

O,O'-(2-(((3-ethoxy-3-oxopropanoyl)oxy)methyl)-2-ethylpropane-1,3-diyl) diethyl dimalonate

Conditions
ConditionsYield
With pyridine In tetrahydrofuran; dichloromethane at 20℃; for 12h;96%
77-99-6

1,1,1-tri(hydroxymethyl)propane

121-45-9

phosphorous acid trimethyl ester

756-79-6

dimethyl methane phosphonate

Conditions
ConditionsYield
Stage #1: 1,1,1-tri(hydroxymethyl)propane; phosphorous acid trimethyl ester at 80 - 120℃; for 4h;
Stage #2: With methyl p-toluene sulfonate at 170 - 180℃; for 2h; Reagent/catalyst; Temperature;
96%
77-99-6

1,1,1-tri(hydroxymethyl)propane

126-58-9

Dipentaerythritol

756-79-6

dimethyl methane phosphonate

121-45-9

phosphorous acid trimethyl ester

methyl-(5-ethyl-2-methyl-1,3,2-dioxaphosphorinan-5-yl)methyl methyl ester (P-oxide phosphonate)

Conditions
ConditionsYield
Stage #1: 1,1,1-tri(hydroxymethyl)propane; Dipentaerythritol; phosphorous acid trimethyl ester With phosphoric acid at 85℃; for 5h; Inert atmosphere;
Stage #2: dimethyl methane phosphonate With 1-bromo-butane at 185℃; for 16h;
95.8%
512-56-1

trimethyl phosphite

77-99-6

1,1,1-tri(hydroxymethyl)propane

102-85-2

tri-n-butyl phosphite

126-58-9

Dipentaerythritol

C13H25O10P3

Conditions
ConditionsYield
Stage #1: 1,1,1-tri(hydroxymethyl)propane; tri-n-butyl phosphite; Dipentaerythritol With sulfuric acid at 85℃; for 5h; Inert atmosphere;
Stage #2: trimethyl phosphite With 1-Bromopentane at 185℃; for 16h;
95.6%
77-99-6

1,1,1-tri(hydroxymethyl)propane

79-08-3

bromoacetic acid

343846-05-9

C12H17Br3O6

Conditions
ConditionsYield
With 2,6-di-tert-butyl-4-methyl-phenol; toluene-4-sulfonic acid In toluene for 7h; Reflux;95.1%
77-99-6

1,1,1-tri(hydroxymethyl)propane

C32H50O15S4

TMP-(S-S)3-G1-(acet)3

Conditions
ConditionsYield
With pyridine; dmap In dichloromethane at 0℃;95.1%
77-99-6

1,1,1-tri(hydroxymethyl)propane

382-21-8

perfluoroisobutylene

A

382-24-1

1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-propane

B

97651-62-2

2-hexafluoroisopropylidene-5-ethyl-5--1,3-dioxane

Conditions
ConditionsYield
With potassium fluoride In acetonitrile 1) 0 deg C, 1 hour 2) 20 deg C, 11-12 h;A n/a
B 95%
77-99-6

1,1,1-tri(hydroxymethyl)propane

79-10-7

acrylic acid

15625-89-5

2-((acryloyloxy)methyl)-2-ethylpropane-1,3-diyl diacrylate

Conditions
ConditionsYield
With methanesulfonic acid; hypophosphorous acid; hydroquinone In cyclohexane at 70 - 91℃; under 3750.38 Torr;95%
Stage #1: With hypophosphorous acid; 4-methoxy-phenol; copper dichloride In cyclohexane; water at 70 - 75℃;
Stage #2: 1,1,1-tri(hydroxymethyl)propane; acrylic acid With toluene-4-sulfonic acid In cyclohexane; water at 95 - 130℃; for 6 - 10h;
With methanesulfonic acid; hydroquinone In toluene at 120℃; for 5h;
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  • 2-ethyl-2-(hydroxymethyl)-1,3-propanediol CAS 77-99-6

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    77-99-6

    2-ethyl-2-(hydroxymethyl)-1,3-propanediol CAS 77-99-6

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    三羟甲基丙烷,简称TMP,CAS#77-99-6,分子式C6H14O3,结构式,分子量134.17,白色晶体,熔点56~59℃,沸点292℃(常压),闪点(开杯)180℃,是一种重要的精细化工产品,广泛用于树脂、聚氨酯、聚酯树脂、涂料等领域,也可用于合成航空润滑油、印刷油墨等领域。三羟甲基丙烷还可用作纺织助剂和聚氯乙烯树脂的热稳定剂。 产品执行标准:HG/T 4122-2009《工业用三羟甲基丙烷》;产品质量规格如下表: 项 目 指

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  • Trimethylolpropane; TMP

  • Casno:

    77-99-6

    Trimethylolpropane; TMP

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  • 77-99-6  Trimethylol propane

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    77-99-6

    77-99-6 Trimethylol propane

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    77-99-6

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  • Trimethylolpropane

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    77-99-6

    MSDS/COA Download

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    77-99-6

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    77-99-6

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    77-99-6

    High quality TMP Trimethylolpropane CAS: 77-99-6

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    Business Type:Trading Company

    Tel:86-021-33883180

    Address:Room 10E, Building G, Westlink Center, No. 2337 Gudai Road, Minhang District, Shanghai, China PC: 201100

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  • Trimethylolpropane

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    77-99-6

    Trimethylolpropane

    Min.Order: 1 Kilogram

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    77-99-6

    TIANFU-CHEM CAS:77-99-6 Trimethylol propane

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    77-99-6

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    77-99-6

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    77-99-6

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     China (Mainland)  |  Contact Details

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    77-99-6

    Trimethylol propane 77-99-6

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    Shanghai Upbio Tech Co.,Ltd (Former Onchem (China)Co.,Ltd) is a comprehensive manufacturer and an international distribution of chemicals throughout the world, The predecessor of

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    Business Type:Lab/Research institutions

    Tel:+86-21-52196435

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    77-99-6

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    77-99-6

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    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.1) Standard:BP/USP/EP/Enterprise standard2) All Purity≥99%3) We are manufacturer and can provide high quality products with factory pric

    Shaanxi Mingqi Chemical Co., Ltd is committed to the development of import and export trade in the production, operation and plant extracts of pharmaceutical raw materials and inte

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    77-99-6

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    77-99-6

    Hexaglycerine CAS No.: 77-99-6

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    Tel:+86-0431-81915458

    Address:Room 302, 47 Changping Street, Chaoyang District, Changchun, Jilin Province,China

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  • Casno:

    77-99-6

    Trimethylol propane CAS 77-99-6

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  • Casno:

    77-99-6

    Trimethylol propane

    Min.Order: 0

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    Tel:18369939125

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  • Casno:

    77-99-6

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  • Casno:

    77-99-6

    MSDS/COA Download

    Trimethylolpropane

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    77-99-6

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    77-99-6

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    Business Type:Lab/Research institutions

    Tel:+86-571-87396432

    Address:No.200 Zhenhua Rd.Xihu Industrial Park, Hangzhou 310030, China

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  • Casno:

    77-99-6

    TRIMETHYLOLPROPANE

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    Business Type:Lab/Research institutions

    Tel:+86-571-85134551

    Address:No. 206 Zhen Hua Road, Hangzhou 310030, Zhejiang, China

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    Business Type:Lab/Research institutions

    Tel:86-15988566987

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  • Casno:

    77-99-6

    Trimethylol propane

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    Hangzhou Yunuo Chemical Co., Ltd. is located in Hangzhou City, China We are specialized in fine chemicals and basic chemical auxiliary materials, Organic compounds, rubber

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    77-99-6

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    Siwei Development Group Ltd. is a reputed professional enterprise in China dedicated to the Amino Acids production and sales of fine chemical products.Over the years we have been m

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    77-99-6

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Chemistry

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/cm
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

Uses

 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.

Production

 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 .

Toxicity Data With Reference

1.    

orl-rat LD50:14,100 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 32 (5)(1967),288.
2.    

orl-mus LD50:13,700 mg/kg

    HYSAAV    Hygiene and Sanitation: English Translation of Gigiena Sanitariya. 32 (5)(1967),288.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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.

Specification

 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 .