1,1,1-Tris(4-hydroxyphenyl)ethane
Grundinformationen
- CAS
27955-94-8- Standard-SMILES
CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
BRPSWMCDEYMRPE-UHFFFAOYSA-N- Summenformel
- C20H18O3
- Durchschnittliche Molmasse
- 306,4 g/mol
- Monoisotopische Masse
- 306,12559443
Namen und Bezeichner
- Bevorzugter Name
- 1,1,1-Tris(4-hydroxyphenyl)ethane
- IUPAC
- 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
- Englischer Name
- 1,1,1-Tris(4-hydroxyphenyl)ethane
- Summenformel
- C20H18O3
- Molmasse
- 306.36
Namen und Synonyme
1,1,1-Tris(4-hydroxyphenyl)ethane27955-94-8Phenol, 4,4',4''-ethylidynetris-Tris(4-hydroxyphenyl)ethane4,4',4''-EthylidynetrisphenolDTXSID20377124,4',4''-Ethane-1,1,1-triyltriphenolPhenol, 4,4',4''-ethylidynetri-TRISP-HAP25K43J16E24,4',4''-(ethan-1,1,1-triyl)triphenolDTXCID0017712
Weitere Namen anzeigen
THPE1,1,1-TRIS(P-HYDROXYPHENYL)ETHANE4,4',4''-(Ethane-1,1,1-triyl)triphenolTIMTEC-BB SBB006476LABOTEST-BB LT00159983TRIS-HYDROXYPHENYLETHANETri(4-hydroxyphenyl)ethaneTRIS(P-HYDROXYPHENYL)ETHANE4,4',4"-Ethylidynetriphenol
EC 405-800-71,1,1-(TRIS(P-HYDROXYPHENYL))ETHANERefChem:409519Tris(phydroxyphenyl)ethaneTris(4hydroxyphenyl)ethaneTris(parahydroxyphenyl)ethane4,4',4''Ethylidynetrisphenol1,1,1Tris(phydroxyphenyl)ethane
Datenbank-Bezeichner
- CAS
27955-94-8- PubChem CID
- 93118
- DTXSID
DTXSID2037712- ChEMBL
CHEMBL491936- UNII
- 25K43J16E2
- EC Number
- 405-800-7、608-155-1
- Nikkaji
- J209.065A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 60,7 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 304
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
Dry Powder
White to tan odorless powder; [DuPont MSDS]
Collision Cross Section184.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2037712]
Physikochemische Eigenschaften
- Schmelzpunkt
- 246 · 246-248 °C (lit.)
- Siedepunkt
- 531.8 · 531.8±45.0 °C(Predicted)
- Dichte
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 241 in · 241 in mg/100g standard fat at 20 ℃
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 834 reports by companies from 2 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Gefahrenhinweise
Regulatory Information
Phenol, 4,4',4''-ethylidynetris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4',4''-ethylidynetris- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 4,4',4''-(ethan-1,1,1-triyl)triphenol (EC: 405-800-7)
Hazards Summary
A mild eye irritant; [RTECS] Not a sensitizer in guinea pig maximization test; May cause eye irritation; Prolonged or repeated exposure may cause digestive tract irritation and effects on the liver and kidney (based on animal studies); [DuPont MSDS]
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Hazardous to the aquatic environment (Acute) - Category 2
Hazardous to the aquatic environment (Acute) - Category 2
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in chemical manufacturing; [ExPub: ECHA REACH Registrations] Used as a cross-linking agent and/or branching agent in coatings, adhesives, epoxies, and plastics; [DuPont MSDS]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 75,000 - <100,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesStabilizing agent
General Manufacturing Information
Plastics Material and Resin Manufacturing
Phenol, 4,4',4''-ethylidynetris-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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