3,3',5,5'-Tetrakis(1,1-dimethylethyl)(1,1'-biphenyl)-2,2'-diol
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Grundinformationen
- CAS
6390-69-8- Standard-SMILES
CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1- InChIKey
GDGDLBOVIAWEAD-UHFFFAOYSA-N- Summenformel
- C28H42O2
- Durchschnittliche Molmasse
- 410,6 g/mol
- Monoisotopische Masse
- 410,31848058
Namen und Bezeichner
- Bevorzugter Name
- 3,3',5,5'-Tetrakis(1,1-dimethylethyl)(1,1'-biphenyl)-2,2'-diol
- IUPAC
- 2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol
- Englischer Name
- 2,2'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl
- Summenformel
- C28H42O2
- Molmasse
- 410.63
Namen und Synonyme
6390-69-83,3',5,5'-tetra-tert-butylbiphenyl-2,2'-diol2,2'-Dihydroxy-3,3',5,5'-tetra-tert-butylbiphenylL9W97XDT3CDTXSID10884292(1,1'-Biphenyl)-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-RefChem:5063872,2-DTTBBDTXCID9010237433,3',5,5'-Tetrakis(1,1-dimethylethyl)(1,1'-biphenyl)-2,2'-diol407-920-5
Weitere Namen anzeigen
4,4',6,6'-ISO-BHT-Diol6,6'-Bi[2,4-di-tert-butylphenol]6,6'-Bi(2,4-di-tert-butylphenol)4,4',6,6'-Tetra-tert-butyl-2,2'-bi(phenol)3,3',5,5'-Tetra-tert-butyl-2,2'-biphenyldiol3,3',5,5'-Tetrakis(tert-butyl)biphenyl-2,2'-diol
622-154-33,3',5,5'-Tetra-tert-butyl-[1,1'-biphenyl]-2,2'-diolMFCD000852873,3',5,5'-tetra-tert-butyl-2,2'-dihydroxybiphenyl2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenolC28H42O2EC 407-920-53,3',5,5'-Tetrakis(tert-butyl)-2,2'-biphenol
Datenbank-Bezeichner
- CAS
6390-69-8- PubChem CID
- 80808
- DTXSID
DTXSID10884292- UNII
- L9W97XDT3C
- EC Number
- 407-920-5、622-154-3
- Nikkaji
- J336.947A
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 9,5
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 513
Experimentelle und physikochemische Eigenschaften
Physical DescriptionDry Powder
Physikochemische Eigenschaften
- Schmelzpunkt
- 194 · 194-195℃
- Siedepunkt
- 469.3 · 469.3±45.0 °C(Predicted)
- Dichte
- 0.981 · 0.981
- Dampfdruck
- 0 · 0-11Pa at 25-141℃
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Powder
- pka
- 10.76 · 10.76±0.48(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3
- InChIKey
- GDGDLBOVIAWEAD-UHFFFAOYSA-N
- SMILES
- C1(C2=CC(C(C)(C)C)=CC(C(C)(C)C)=C2O)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O
- LogP
- 10.6 · 10.6
- CAS Datenbank
- 6390 · 6390-69-8
- EPA chemische Informationen
- 3 · 3,3',5,5'-Tetrakis(tert-butyl)-2,2'-biphenol (6390-69-8)
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
Danger
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)- 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)
Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4049；Status: Active Update: 26-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/8588
Hazard Classes and Categories
STOT RE 2 (33.3%)；Aquatic Chronic 4 (100%)
Aquatic Chronic 4 (100%)
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
Regulatorische Informationen
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)- 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)
Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4049；Status: Active Update: 26-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/8588
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2907.29.0500
- risk_code
- 53
- safety_code
- 61
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 33,350 lb
Industry UsesCatalyst
General Manufacturing Information
Petrochemical Manufacturing
[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-: ACTIVE
Anwendungen
Verwenden3,3'',5,5''-Tetra-tert-butyl-2,2''-dihydroxybiphenyl is used in the Kolbe-Schmitt synthesis of pharmacologically useful salicylates.
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