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- Name 1,1,1-Tris(4-hydroxyphenyl)ethane
- EINECS405-800-7
- CAS No. 27955-94-8
- Density1.252 g/ml
- PSA60.69000
- LogP4.15770
- Solubility25.1mg/L at 20℃
- Melting Point246-248 °C
- FormulaC20H18O3
- Boiling Point531.8 °C
- Molecular Weight306.361
- Flash Point251 °C
- Transport InformationUN 3077
- AppearanceN/A
- Safety26-37/39-61
- Risk Codes36/37/38-51/53
- Molecular Structure
- Hazard Symbols
Xi
N - SynonymsXiN
- Article Data10
1,1,1-Tris(4-hydroxyphenyl)ethane Synthetic route
| 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% |
| 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 | Yield |
|---|---|
| With sodium thioethylate In N,N-dimethyl-formamide |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 3010-81-9
tris(4-methoxyphenyl)methanol
- 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: NaSEt / dimethylformamide View Scheme |
| Conditions | Yield |
|---|---|
| at 150℃; for 2h; | 60.61 %Chromat. |
| 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 | Yield |
|---|---|
| In tetrachloromethane at 24.84℃; Equilibrium constant; |
- 27955-94-8
1,1,1-tris(4-hydroxyphenyl)ethane
| 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 | 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: .gif)
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: .gif){kind=small}
Xi,.gif){kind=small}
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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