2-tert-Butyl-p-kresol

TBN · MTBP · 4M · MBPC · RALOX 240 · Lowinox MBPC · p-Butylcresol · 2-T-BUTYL-P-CRESOL

https://huagongshe.com/de/chemical/17004

Molekülstruktur von 2-tert-Butyl-p-kresol

Identifikatoren & physikalische Daten

CAS No.	2409-55-4
Summenformel	C11H16O
Durchschnittliche Molmasse	164,24 g/mol
Monoisotopische Masse	164,12011513 g/mol
SMILES	Cc1ccc(O)c(C(C)(C)C)c1
InChIKey	IKEHOXWJQXIQAG-UHFFFAOYSA-N
PubChem CID	17004
ChEMBL	CHEMBL281976
EC No.	219-314-6
DTXSID	DTXSID2020212
Lokaler Name	2-tert-Butyl-p-kresol

Chemische & physikalische Eigenschaften

XLogP	3,6
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	146
Dichte	0.9247 g/cc @ 75 °C0.92 g/cm3 (75℃)
Löslichkeit	Insoluble in water, soluble in oxygenated solvents.methanol: 0.1 g/mL, clear
Flammpunkt	105 °C212 °F
Siedepunkt	237 °C244 °C(lit.)
Schmelzpunkt	55 °C50-52 °C(lit.)
Dampfdruck	0.02 [mmHg]0.025 mm Hg at 25 °C (extrapolated)4.9Pa at 25℃
Brechungsindex	Index of Refraction = 1.4969 at 75 °C
Physical Description	Solid[IUCLID] Orange or light brown crystalline solid[MSDSonline]
Kovats Retention Index	13451352.21353.1135513871359.21327.62235
Collision Cross Section	140.2 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2020212]
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	Crystalline Mass
pKa (Säurekonstante)	11+-.0.18(Predicted)
Farbe	White to yellow-beige
pH	4-5 (H2O, 20℃)(saturated solution)
Geruch	at 100.00 %. cresol medicinal leather
Geruchsart	leathery
BRN	1817645
Henry-Konstante	6.6×100 mol/(m3Pa) at 25℃, HSDB (2015)
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
InChIKey	IKEHOXWJQXIQAG-UHFFFAOYSA-N
SMILES	Cc1ccc(O)c(c1)C(C)(C)C
LogP (Verteilungskoeffizient)	3.97
CAS Datenbank	2409-55-4(CAS DataBase Reference)
NIST chemische Informationen	Phenol, 2-(1,1-dimethylethyl)-4-methyl-(2409-55-4)
EPA chemische Informationen	2-tert-Butyl-p-cresol (2409-55-4)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 3.4% (6 of 176) of reports.DangerH314 (92.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (36.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (52.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (19.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 176 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 6 of 176 reports by companies.There are 20 notifications provided by 170 of 176 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: Phenol, 2-(1,1-dimethylethyl)-4-methyl-Phenol, 2-(1,1-dimethylethyl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(1,1-dimethylethyl)-4-methyl- 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: 19-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13640Status: Active Update: 04-07-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/68132-t-Butyl-4-methylphenol: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Caused fatty liver degeneration and changes to renal tubules in inhalation study of rats