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HCID 79717Erstellt: 26. Oktober 2026

4,4'-Isopropylidendi-2,6-xylol

TETRAMETHYLBISPHENOL A · Nsc73730 · Bisxylenol A · LABOTEST-BB LT00159397 · Adrenaline Impurity 54 · bisphenol a, tetramethyl · 4,4-isopropylidenedi-2,6-xylol · 4,4'-isopropylidenedi-2,6-xylol

https://huagongshe.com/de/chemical/79717

Molekülstruktur von 4,4'-Isopropylidendi-2,6-xylol

Identifikatoren & physikalische Daten

CAS No.5613-46-7
SummenformelC19H24O2
Durchschnittliche Molmasse284,4 g/mol
Monoisotopische Masse284,17763001 g/mol
SMILESCc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
InChIKeyODJUOZPKKHIEOZ-UHFFFAOYSA-N
PubChem CID79717
ChEMBLCHEMBL480406
EC No.227-033-5
DTXSIDDTXSID8047973
Lokaler Name4,4'-Isopropylidendi-2,6-xylol

Chemische & physikalische Eigenschaften

XLogP5,5
Polarare Oberfläche (TPSA)40,5
H-Brücken-Donoren2
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome21
Formalladung0
Komplexität295
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder
Collision Cross Section182.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID8047973]
Schmelzpunkt162-165 °C (lit.)
Siedepunkt420.6±40.0 °C(Predicted)
Dichte1.074±0.06 g/cm3(Predicted)
Dampfdruck0Pa at 20℃
LagerbedingungenSealed in dry,Room Temperature
LöslichkeitChloroform (Slightly), Methanol (Slightly)3.17mg/L at 20℃
AggregatzustandSolid
pKa (Säurekonstante)10.60±0.10(Predicted)
FarbeOff-White to Pale Brown
StabilitätHygroscopic
InChIInChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
InChIKeyODJUOZPKKHIEOZ-UHFFFAOYSA-N
SMILESC(C1=CC(C)=C(O)C(C)=C1)(C1=CC(C)=C(O)C(C)=C1)(C)C
LogP (Verteilungskoeffizient)4.51 at 25℃
CAS Datenbank5613-46-7(CAS DataBase Reference)
EPA chemische InformationenPhenol, 4,4'-(1-methylethylidene)bis[2,6-dimethyl- (5613-46-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.WarningH315 (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.
Regulatorische InformationenChemical: 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)Status: Active Update: 06-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19541
Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
Zollcode29072990
R-Sätze (R)36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-36
Lagerklasse11 - Combustible Solids
GefahrenklasseEye Irrit. 2Skin Irrit. 2STOT SE 3