2,6-Di-tert-butyl-4-mercaptophenol

Probucol 8 · Warfarin-002 · Probucol Impurity 3 · Probucol Impurity 8 · Probucol impurity D · 2,6-DI-TERT-BUTYL-4-THIOPHENOL · 2,6-ditert-butyl-4-sulfanylphenol · 2,6-Di-tert-butyl-4-mercatophenol

https://huagongshe.com/de/chemical/70370

Molekülstruktur von 2,6-Di-tert-butyl-4-mercaptophenol

Identifikatoren & physikalische Daten

CAS No.	950-59-4
Summenformel	C14H22OS
Durchschnittliche Molmasse	238,39 g/mol
Monoisotopische Masse	238,13913632 g/mol
SMILES	CC(C)(C)c1cc(S)cc(C(C)(C)C)c1O
InChIKey	NFVMNXZFSKGLDR-UHFFFAOYSA-N
PubChem CID	70370
EC No.	213-451-5
DTXSID	DTXSID00241719
Lokaler Name	2,6-Di-tert-butyl-4-mercaptophenol

Chemische & physikalische Eigenschaften

XLogP	5,1
Polarare Oberfläche (TPSA)	21,2
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	16
Formalladung	0
Komplexität	212
Endocrine Disruptors	Potential endocrine disrupting compound
Lagerbedingungen	2-8°C, stored under nitrogen
Löslichkeit	Dichloromethane, Diethylether, Ethyl Acetate, Hexanes
Aggregatzustand	solid
InChI	1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey	NFVMNXZFSKGLDR-UHFFFAOYSA-N
SMILES	OC(C(C(C)(C)C)=CC(S)=C1)=C1C(C)(C)C

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
Wassergefährdungsklasse (WGK)	WGK 3
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

A possible inhibitor of DNA-benzo[a]pyrene adducts formation and benzopyrene activation.