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Cas Database

Name	1,1,1-Tris(4-hydroxyphenyl)ethane	EINECS	405-800-7
CAS No.	27955-94-8	Density	1.252 g/ml
PSA	60.69000	LogP	4.15770
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	N/A
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-;	Article Data	10

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

: 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.

: 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%

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.

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