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

HCID 93118CAS 27955-94-8
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Grundinformationen

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

Experimentelle und physikochemische Eigenschaften

Physical Description · 2 Einträge

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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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)

Gefahrenhinweise

Regulatory Information · 3 Einträge

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.

Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1827；Status: Active Update: 14-02-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6876；Status: Cease Manufacture Update: 29-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13161；Status: Active Update: 04-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/14024

Hazards Summary · 1 Eintrag

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 · 6 Einträge

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 (Long-term) - Category 2

Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

Aquatic Chronic 2

Regulatorische Informationen

Regulatory Information · 3 Einträge

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.

Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1827；Status: Active Update: 14-02-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6876；Status: Cease Manufacture Update: 29-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/13161；Status: Active Update: 04-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/14024

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
hs_code
2907290030
RTECS-Nr.
SL4375275
risk_code
36/37/38-51/53

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

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]；Working with Glues and Adhesives [Category: Other]

U.S. Production2023: 75,000 - <100,000 lb；2022: 250,000 - <400,000 lb；2021: 400,000 - <550,000 lb；2020: 100,000 - <250,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesStabilizing agent；Intermediate
General Manufacturing Information · 2 Einträge

Plastics Material and Resin Manufacturing

Phenol, 4,4',4''-ethylidynetris-: ACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

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