4,4'-Isopropylidendi-2,6-xylol
4,4'-Isopropylidenedi-2,6-xylol
Grundinformationen
- CAS
5613-46-7- Standard-SMILES
Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O- InChIKey
ODJUOZPKKHIEOZ-UHFFFAOYSA-N- Summenformel
- C19H24O2
- Durchschnittliche Molmasse
- 284,4 g/mol
- Monoisotopische Masse
- 284,17763
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Isopropylidenedi-2,6-xylol
- IUPAC
- 4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
- Lokaler Name
- 4,4'-Isopropylidendi-2,6-xylol
- Englischer Name
- 2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane
- Summenformel
- C19H24O2
- Molmasse
- 284.39
Namen und Synonyme
4,4'-Isopropylidenedi-2,6-xylolRefChem:506703227-033-55613-46-72,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane4,4'-(propane-2,2-diyl)bis(2,6-dimethylphenol)tetramethyl bisphenol ATetramethylbisphenol A4,4'-propane-2,2-diylbis(2,6-dimethylphenol)4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propaneMFCD00068238
Weitere Namen anzeigen
Nsc73730Bisxylenol ALABOTEST-BB LT00159397Adrenaline Impurity 54bisphenol a, tetramethyl4,4-isopropylidenedi-2,6-xylol3,3’,5,5'-tetramethylbisphenol A4,4'-Isopropylidenedi-2,6-xylenol
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-TetramethylbisphenolADTXSID80479734,4'-Isopropylidenebis(2,6-dimethylphenol)NSC 737304-[1-(4-Hydroxy-3,5-dimethylphenyl)-1-methylethyl]-2,6-dimethylphenolbis(2,6-dimethylphenol), 2DTXCID4027949
Datenbank-Bezeichner
- CAS
5613-46-7- PubChem CID
- 79717
- DTXSID
DTXSID8047973- ChEMBL
CHEMBL480406- UNII
- Z5K58M3L3E
- EC Number
- 227-033-5
- Nikkaji
- J225.054C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 295
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder
Collision Cross Section182.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8047973]
Physikochemische Eigenschaften
- Schmelzpunkt
- 162 · 162-165 °C (lit.)
- Siedepunkt
- 420.6 · 420.6±40.0 °C(Predicted)
- Dichte
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 10.6 · 10.60±0.10(Predicted)
- Farbe
- Off-White to Pale Brown
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- 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)
REACH registered substance: 4,4'-isopropylidenedi-2,6-xylol (EC: 227-033-5)
Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29072990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2022: 147,840 lb
Industry UsesFlame retardant
General Manufacturing Information
Plastics Product Manufacturing
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
7
Notizen zur Verbindung
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