3,5-Di-tert-butyl-4-hydroxybenzylalkohol

Butylated hydroxymethylphenol · 2,6-DI-TERT-BUTYL-4-HYDROXYMETHYLPHENOL · ao754 · AO 754 · ionox100 · Ionox 100 · Ethanox-754 · antioxidant754

https://huagongshe.com/de/chemical/6929

Molekülstruktur von 3,5-Di-tert-butyl-4-hydroxybenzylalkohol

Identifikatoren & physikalische Daten

CAS No.	88-26-6
Summenformel	C15H24O2
Durchschnittliche Molmasse	236,35 g/mol
Monoisotopische Masse	236,17763 g/mol
SMILES	CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O
InChIKey	HNURKXXMYARGAY-UHFFFAOYSA-N
PubChem CID	6929
ChEMBL	CHEMBL225220
ChEBI	CHEBI:173703
EC No.	201-815-6
DTXSID	DTXSID7020211
Lokaler Name	3,5-Di-tert-butyl-4-hydroxybenzylalkohol

Chemische & physikalische Eigenschaften

XLogP	4
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	17
Formalladung	0
Komplexität	223
Schmelzpunkt	141 °C139-141 °C(lit.)
Physical Description	Solid
Kovats Retention Index	1781.4
Siedepunkt	214°C 40mm
Dichte	0.9845 (rough estimate)
Dampfdruck	0Pa at 20℃
Brechungsindex	1.5542 (estimate)
Flammpunkt	214°C/40mm
Lagerbedingungen	2-8°C
Löslichkeit	Insoluble in water
pKa (Säurekonstante)	12.01±0.40(Predicted)
Aggregatzustand	Solid:particulate/powder
Farbe	White to Yellow to Orange
BRN	2052291
InChI	1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3
InChIKey	HNURKXXMYARGAY-UHFFFAOYSA-N
SMILES	CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C
LogP (Verteilungskoeffizient)	3.16 at 20℃
CAS Datenbank	88-26-6(CAS DataBase Reference)
NIST chemische Informationen	3,5-Di-tert-butyl-4-hydroxybenzyl alcohol(88-26-6)
EPA chemische Informationen	3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol (88-26-6)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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: Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-Status: Active Update: 28-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20761Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Skin Irrit. 2 (95.6%)Eye Irrit. 2 (95.6%)STOT SE 3 (93.3%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29072990
RTECS-Nr.	DO0750000
R-Sätze (R)	36/37/38
Toxizität	LDLo oral in mouse: 7gm/kg
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Aquatic Chronic 3

Anwendungen & Verwendung

Verwenden

3,5-Di-tert-butyl-4-hydroxybenzyl alcohol is an antioxidant used alone or in combination with other permitted antioxidants. The total amount of all antioxidants added to food must not exceed 0.02% of the oil or fat content of the food, including the essential (volatile) oil content of the food.