1,1,1-Tris(4-hydroxyphenyl)ethane supplier

Name
1,1,1-Tris(4-hydroxyphenyl)ethane
EINECS 405-800-7
CAS No. 27955-94-8
Article Data10
CAS DataBase
Density 1.252 g/ml
Solubility 25.1mg/L at 20℃
Melting Point 246-248 °C
Formula C₂₀H₁₈O₃
Boiling Point 531.8 °C
Molecular Weight 306.361
Flash Point 251 °C
Transport Information UN 3077
Appearance
Safety 26-37/39-61
Risk Codes 36/37/38-51/53
Molecular Structure
Hazard Symbols XiN
Synonyms Phenol,4,4',4''-ethylidynetri- (8CI);1,1,1-Tris(4-hydroxyphenyl)ethane;1,1,1-[Tris(p-hydroxyphenyl)]ethane;4,4',4''-Ethane-1,1,1-triyltriphenol;Tris(4-hydroxyphenyl)ethane;TrisP-HAP;Phenol,4,4',4''-ethylidynetris-;
PSA 60.69000
LogP 4.15770

Synthetic route

: 99-93-4
4-Hydroxyacetophenone

: 108-95-2
phenol

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride In water at 60℃; for 9.66667h; Reagent/catalyst;	91.3%
With hydrogenchloride; mercaptoacetic acid at 60℃; for 6h;	82%
methanesulfonic acid; 3-mercaptopropionic acid at 55℃; for 20.5h; Product distribution / selectivity;	57.76%

: 123-54-6
acetylacetone

: 108-95-2
phenol

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
methanesulfonic acid; 3-mercaptopropionic acid at 35 - 55℃; for 22h; Product distribution / selectivity;	34.1%

: 83425-83-6
1,1,1-tris(4-methoxyphenyl)ethane

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
With sodium thioethylate In N,N-dimethyl-formamide

: 26567-75-9
acetylacetone enol

: 108-95-2
phenol

A: 80-05-7
BPA

B: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
With hydrogenchloride

...Expand

: 3010-81-9
tris(4-methoxyphenyl)methanol

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: NaSEt / dimethylformamide View Scheme

: 80-05-7
BPA

: 108-95-2
phenol

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
at 150℃; for 2h;	60.61 %Chromat.

: 123-54-6
acetylacetone

: 108-95-2
phenol

A: 80-05-7
BPA

B: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
With sodium 3-mercaptopropanesulfonate; ion exchange resin A-121 (manufactured by Rohm & Haas) at 75℃; for 22h;
ion exchange resin A-121 (manufactured by Rohm & Haas) at 75℃; for 24 - 46h; Product distribution / selectivity;	A 40.69 - 72.82 %Chromat. B 42.59 - 48.82 %Chromat.
With 3-mercaptopropionic acid; ion exchange resin A-121 (manufactured by Rohm & Haas) at 65 - 75℃; for 18 - 24h; Product distribution / selectivity;	A 26.78 - 80.92 %Chromat. B 24.31 - 49.05 %Chromat.
With 3-mercaptopropanesulfonic acid; ion exchange resin A-121 (manufactured by Rohm & Haas) at 65℃; for 2 - 48.5h; Product distribution / selectivity;	A 1.11 - 73.06 %Chromat. B 0.39 - 60.79 %Chromat.

...Expand

: 1182705-81-2
C20H18O3*C71H117N3O6

A: 1182705-80-1
C71H117N3O6

B: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

Conditions

Conditions	Yield
In tetrachloromethane at 24.84℃; Equilibrium constant;

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: ethane-1,1,1-triyltris(benzene-4,1-diyl)trifluorosulfonate

Conditions

Conditions	Yield
Stage #1: 1,1,1-tris(4-hydroxyphenyl)ethane With triethylamine In dichloromethane at 20℃; for 0.166667h; Stage #2: With fluorosulfonyl fluoride In dichloromethane at 20℃; Sealed tube;	100%
With fluorosulfonyl fluoride; triethylamine In dichloromethane at 20℃;

: 2417-72-3
Methyl 4-(bromomethyl)benzoate

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 1190878-91-1
C47H42O9

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone for 48h; Reflux;	99%

: 612-62-4
2-Chloroquinoline

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 1190746-29-2
C47H33N3O3

Conditions

Conditions	Yield
Stage #1: 1,1,1-tris(4-hydroxyphenyl)ethane With potassium carbonate In sulfolane; toluene at 20℃; for 0.75h; Inert atmosphere; Stage #2: 2-Chloroquinoline In sulfolane; toluene at 180℃; for 48h; Inert atmosphere;	98%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 106-95-6
allyl bromide

: 4,4’,4’’-(ethane-1,1,1-triyl)tris((allyloxy)benzene)

Conditions

Conditions	Yield
Stage #1: 1,1,1-tris(4-hydroxyphenyl)ethane With potassium carbonate In acetone for 1h; Inert atmosphere; Reflux; Stage #2: allyl bromide In acetone Reflux; Inert atmosphere;	98%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 352708-07-7
benzylidene-2,2-bis(oxymethyl) propionic anhydride

: 352708-08-8
C56H54O12

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 20℃; for 5h;	97%
With pyridine; dmap In dichloromethane at 20℃; for 12h;	96%

: 14508-49-7
2-chloropyrazin

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 1190746-28-1
1,1,1-tris(4-(pyrazinyloxy)phenyl)ethane

Conditions

Conditions	Yield
Stage #1: 1,1,1-tris(4-hydroxyphenyl)ethane With potassium carbonate In sulfolane; toluene at 20℃; for 0.75h; Inert atmosphere; Stage #2: 2-chloropyrazin In sulfolane; toluene at 180℃; for 48h; Inert atmosphere;	96%

: 944702-96-9
C17H27N6O5Cl

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: C71H96N18O18

Conditions

Conditions	Yield
With dmap; TEA In dichloromethane at 20℃;	95%

: 910542-57-3
[(S)-1-(4-Bromomethyl-benzenesulfonyl)-pyrrolidin-2-yl]-diphenyl-methanol

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: C92H87N3O12S3

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone for 24h; Heating;	94%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 17872-59-2
2,2-bis(acetoxymethyl)propanoic acid chloride

: 3-Acetoxy-2-acetoxymethyl-2-methyl-propionic acid 4-{1,1-bis-[4-(3-acetoxy-2-acetoxymethyl-2-methyl-propionyloxy)-phenyl]-ethyl}-phenyl ester

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 25℃;	93%

: 865835-72-9
(CH3)3C(C6H5)2SiOCH2CH2CH2CB10H10CCH2CH2COOH

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: ((CH3)3C(C6H5)2SiOCH2CH2CH2CB10H10CCH2CH2COOC6H4)3CCH3

Conditions

Conditions	Yield
With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; 4-(dimethylamino)pyridinium tosylate In pyridine; dichloromethane CH2Cl2-pyridine, room temp., > 12 h; column chromy. (hexane-EtOAc);	93%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 162709-84-4
3,4,5-tris(n-dodecan-1-yloxy)benzyl chloride

: 1063745-71-0
tris[4-(3,4,5-tridodecyloxybenzyloxy)phenyl]ethane

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 6h;	93%

: 50-00-0
formaldehyd

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 124-40-3
dimethyl amine

: 1086840-20-1
C38H60N6O3

Conditions

Conditions	Yield
In ethanol; water for 2.5h; Heating / reflux;	93%

...Expand

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 199277-76-4
3,5-bis(p-vinylphenylmethyloxy)benzyl bromide

: 1,1,1-tris{4-[3,5-bis(4-ethenylbenzyloxy)benzyloxy]phenyl}ethane

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone for 48h; Heating;	92%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 5-(1,3-diacetoxypropan-2-yloxy)-5-oxopentanoic acid

: C56H66O24

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0 - 25℃; for 24.5h;	92%

: 50-00-0
formaldehyd

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 62-53-3
aniline

: C44H39N3O3

Conditions

Conditions	Yield
Stage #1: formaldehyd; aniline for 1h; Cooling with ice; Stage #2: 1,1,1-tris(4-hydroxyphenyl)ethane In toluene at 110℃; for 10h;	91.6%
at 60 - 130℃; for 1h;

...Expand

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 24131-32-6
3,5-bis(benzyloxy)benzyl bromide

: C75H64O9

Conditions

Conditions	Yield
With 18-crown-6 ether; caesium carbonate In acetone for 24h; Reflux; Inert atmosphere;	91.3%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 183058-00-6
(4R,5R)-2-[4-(bromomethyl)phenyl]-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanol

: ethane-1,1,1-triyltris{[(4,1-phenyleneoxy)methylene]-4,1-phenylene-2-((4R,5R)-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanol)}

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone for 24h; Heating;	91%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 247122-96-9
3,5-bis[3-(tert-butyldimethylsilyloxy)propyloxy]benzyl bromide

: 1,1,1-tris[4-(3,5-bis[3-(tert-butyldimethylsilyloxy)propyloxy]benzyloxy)phenyl]ethane

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone for 48h; Heating;	91%
With 18-crown-6 ether; potassium carbonate In acetone	91%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 176038-86-1
1-(bromomethyl)-3,5-bis(prop-2-ynyloxy)benzene

: 852511-59-2
(Acet)6-([G-1])3-[C]

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone Heating;	91%
With 18-crown-6 ether; potassium carbonate In acetone for 24h; Inert atmosphere; Reflux;	77%
With 18-crown-6 ether; potassium carbonate In tetrahydrofuran for 24h; Heating;	58.4%

: 237403-65-5
(3-ethyloxetan-3-yl)methyl 4-methylbenzenesulfonate

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 473995-23-2
C38H48O6

Conditions

Conditions	Yield
Stage #1: 1,1,1-tris(4-hydroxyphenyl)ethane With caesium carbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 0.5h; Stage #2: (3-ethyloxetan-3-yl)methyl 4-methylbenzenesulfonate In 1-methyl-pyrrolidin-2-one at 80℃; for 20h;	91%

: 237403-65-5
(3-ethyloxetan-3-yl)methyl 4-methylbenzenesulfonate

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: C41H54O3

Conditions

Conditions	Yield
Stage #1: 1,1,1-tris(4-hydroxyphenyl)ethane With caesium carbonate In 1-methyl-pyrrolidin-2-one at 80℃; for 0.5h; Stage #2: (3-ethyloxetan-3-yl)methyl 4-methylbenzenesulfonate In 1-methyl-pyrrolidin-2-one at 80℃; for 20h;	91%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 106-96-7
propargyl bromide

: 97920-65-5
1,1,1-tris(4-propargyl ether phenyl)ethane

Conditions

Conditions	Yield
In toluene Alkaline conditions;	90%
With potassium carbonate In acetonitrile for 48h; Inert atmosphere; Reflux;	90%
With 18-crown-6 ether; potassium carbonate In acetone for 24h; Inert atmosphere; Reflux;	87%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 627-18-9
1-bromo-3-propanol

: 247122-91-4
1,1,1-tris[4-(3-hydroxypropyloxy)phenyl]ethane

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone	90%

: 852628-93-4
3,4,5-tris(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)benzyl chloride

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 5,5',5''-(4,4',4''-(ethane-1,1,1-triyl)tris(benzene-4,1-diyl))tris(oxy)tris(methylene)tris(1,2,3-tris(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)benzene)

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 80℃; for 24h; Inert atmosphere;	90%

: 16837-14-2
2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 428820-33-1
C44H54O12

Conditions

Conditions	Yield
Stage #1: 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid; 1,1,1-tris(4-hydroxyphenyl)ethane With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Stage #2: With hydrogenchloride In tetrahydrofuran; water for 2h;	90%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 2-((1,3-diacetoxypropan-2-yloxy)carbonyl)benzoic acid

: C65H60O24

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0 - 25℃; for 24.5h;	90%

: 4461-52-3
methoxymethanol

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 62-53-3
aniline

: C44H39N3O3

Conditions

Conditions	Yield
Stage #1: methoxymethanol; aniline With 4-methyl-2-pentanone at 20℃; for 3h; Dean-Stark; Inert atmosphere; Stage #2: 1,1,1-tris(4-hydroxyphenyl)ethane for 9.5h; Reflux; Dean-Stark; Inert atmosphere;	90%

...Expand

: 559-40-0
octaperfluorocyclopentene

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 1-[1,1-bis[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyphenyl]ethyl]-4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy-benzene

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 20℃; for 16h; chemoselective reaction;	90%

: 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane

: 179388-76-2
3-Acetoxy-2-acetoxymethyl-2-methyl-propionic acid 3-(3-acetoxy-2-acetoxymethyl-2-methyl-propionyloxy)-2-chlorocarbonyl-2-methyl-propyl ester

: C89H114O42

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 25℃;	89%

1,1,1-Tris(4-hydroxyphenyl)ethane Chemical Properties

IUPAC Name: 1,1,1-Tris(4-hydroxyphenyl)ethane
Synonyms of 1,1,1-Tris(4-hydroxyphenyl)ethane (27955-94-8): 4,4',4"-Ethylidynetriphenol ; Tris(para-hydroxyphenyl)ethane ; 1,1,1-Tris(4-hydroxyphenyl)ethane ; 4,4',4"-Etilidintrifenol ; 4,4',4''-Ethylidynetrisphenol
Molecular Formula: C₂₀H₁₈O₃
Molecular Weight: 306.35
Molecular Structure:
EINECS: 405-800-7
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 27.69 Å²
Molar Refractivity: 89.81 cm³
Molar Volume: 244.5 cm³
Surface Tension: 56 dyne/cm
Enthalpy of Vaporization: 83.78 kJ/mol
Vapour Pressure: 6.3E-12 mmHg at 25°C
Index of Refraction: 1.655
Density: 1.252 g/ml
Flash Point: 251 °C
Boiling Point: 531.8 °C
Melting Point: 246-248 °C
Product Categories of 1,1,1-Tris(4-hydroxyphenyl)ethane (27955-94-8): Industrial/Fine Chemicals;Color Former & Related Compounds;Developer;Functional Materials

1,1,1-Tris(4-hydroxyphenyl)ethane Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 5gm/kg (5000mg/kg)	SKIN AND APPENDAGES (SKIN): HAIR: OTHER	National Technical Information Service. Vol. OTS0530499-1,
rat	LD50	skin	> 2gm/kg (2000mg/kg)		National Technical Information Service. Vol. OTS0530499-1,

1,1,1-Tris(4-hydroxyphenyl)ethane Safety Profile

Safety information of 1,1,1-Tris(4-hydroxyphenyl)ethane (27955-94-8):
Hazard Codes: Xi,N
Risk Statements:36/37/38-51/53
36/37/38: Irritating to eyes, respiratory system and skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 26-37/39-61
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39: Wear suitable gloves and eye/face protection
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: SL4375275
Low toxicity by ingestion and skin contact. A mild eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.

Product Name

1,1,1-Tris(4-hydroxyphenyl)ethane

Synthetic route

1,1,1-Tris(4-hydroxyphenyl)ethane Chemical Properties

1,1,1-Tris(4-hydroxyphenyl)ethane Toxicity Data With Reference

1,1,1-Tris(4-hydroxyphenyl)ethane Safety Profile

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