6,6'-Di-tert-butyl-4,4'-diethyl-2,2'-methylendiphenol

2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)

HCID 6928CAS 88-24-4

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Grundinformationen

Standard-SMILES: CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIKey: GPNYZBKIGXGYNU-UHFFFAOYSA-N
Summenformel: C25H36O2
Durchschnittliche Molmasse: 368,6 g/mol
Monoisotopische Masse: 368,27153039

Namen und Bezeichner

Bevorzugter Name: 2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)
IUPAC: 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol
Lokaler Name: 6,6'-Di-tert-butyl-4,4'-diethyl-2,2'-methylendiphenol
Englischer Name: 2,2′-Methylenebis(6-tert-butyl-4-ethylphenol)
Summenformel: C25H36O2
Molmasse: 368.55

Namen und Synonyme

88-24-4Antioxidant 4252,2'-Methylenebis(6-tert-butyl-4-ethylphenol)2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)Plastanox 425Yoshinox 425Plastanox 425 antioxidantUSAF CY-6Agidol 7Nocrac NS 52,2'-Methylenebis(ethyl-6-tert-butylphenol)Cyanox 425

Weitere Namen anzeigen

Chemanox 22cyanox425ao425agidol7usafcy-6nocracns5

Antage W 500AO 425DTXSID7038864Bis(2-hydroxy-3-tert-butyl-5-ethylphenyl)methaneBis(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methane2,2-Methylenebis(4-ethyl-6-t-butylphenol)Phenol, 2,2'-methylenebis(6-tert-butyl-4-ethyl-RZW97F6CTS

Datenbank-Bezeichner

CAS: 88-24-4
PubChem CID: 6928
DTXSID: DTXSID7038864
ChEMBL: CHEMBL3182523
UNII: RZW97F6CTS
EC Number: 201-814-0
Nikkaji: J34.563F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 8,1
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 27
Formalladung: 0
Komplexität: 416

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 2 Einträge

Dry Powder

Pale cream to white free flowing powder with a phenolic odor; [MSDSonline]

Collision Cross Section203.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7038864]

Physikochemische Eigenschaften

Schmelzpunkt: 119 · 119-122 °C(lit.)
Siedepunkt: 458.86 °C · 458.86°C (rough estimate)
Dichte: 1.01 · 1.010
Dampfdruck: 0 Pa · 0Pa at 25℃
Brechungsindex: 1.4894 · 1.4894 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 11.37 · 11.37±0.48(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3
InChIKey: GPNYZBKIGXGYNU-UHFFFAOYSA-N
SMILES: C(C1=CC(CC)=CC(C(C)(C)C)=C1O)C1=CC(CC)=CC(C(C)(C)C)=C1O
LogP: 8.95 at · 8.95 at 20℃
CAS Datenbank: 88 · 88-24-4(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,2'-Methylenebis[6-(tert-butyl)-4-ethylphenol] (88-24-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 48.7% (57 of 117) of reports.

Warning

H315 (35.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 117 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Phenol, 2,2â²-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-

Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- 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: 27-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20809

Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-: 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.

Hazards SummaryA reproductive effector; Causes changes in motor activity in lethal-dose feeding studies of rats; [RTECS] An irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (35.9%)

Toxikologische Informationen

Non-Human Toxicity Excerpts · 1 Eintrag

HEPATIC LIPIDS WERE STUDIED IN SPRAGUE-DAWLEY MALE RATS GIVEN, 2,2'- METHYLENEBIS(4-ETHYL-6-TERT-BUTYLPHENOL), AT LEVEL OF 1.135 MMOL% FOR 1 WK. IT INDUCED FATTY LIVER & INCR TRIGLYCERIDE, DIGLYCERIDE & CHOLESTERYL-ESTER CONCN. ALSO PRODUCED CHANGE IN LIVER LIPIDS.

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29072990
RTECS-Nr.: SL9800000
risk_code: 36/37/38
Toxizität: LD50 oral in rat: > 10gm/kg
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 88-24-4(Hazardous Substances Data)
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used as an antioxidant; [HSDB]

ANTIOXIDANT

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesAntioxidant

General Manufacturing Information · 3 Einträge

Adhesive Manufacturing

Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-: ACTIVE

DURING BLOOD ANAL OF DELTA1-TETRAHYDROCANNABINOL, AN ANTIOXIDANT CONTAMINANT 2, 2'-METHYLENEBIS[6-(1,1-DIMETHYLETHYL)-4-ETHYLPHENOL-] WAS ISOLATED FROM CERTAIN STOPPERS FOLLOWING C5H12 EXTRACTION.