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

HCID 10269

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 489-01-0
Standard-SMILES: COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIKey: SLUKQUGVTITNSY-UHFFFAOYSA-N
Summenformel: C15H24O2
Durchschnittliche Molmasse: 236,35 g/mol
Monoisotopische Masse: 236,17763

Namen und Bezeichner

Bevorzugter Name: 2,6-Di-tert-butyl-4-methoxyphenol
IUPAC: 2,6-ditert-butyl-4-methoxyphenol
Lokaler Name: 2,6-Di-tert-butyl-4-methoxyphenol
Englischer Name: 2,6-DI-TERT-BUTYL-4-METHOXYPHENOL
Summenformel: C15H24O2
Molmasse: 236.35

Namen und Synonyme

2,6-DI-TERT-BUTYL-4-METHOXYPHENOL489-01-03,5-Di-tert-butyl-4-hydroxyanisoleTopanol 3542,6-ditert-butyl-4-methoxyphenol3,5-di-t-Butyl-4-hydroxyanisolePhenol, 2,6-bis(1,1-dimethylethyl)-4-methoxy-Phenol, 2,6-di-tert-butyl-4-methoxy-DTXSID8041379616072TMXYNSC-14451DTXCID6021379

Weitere Namen anzeigen

DTBHA[Oxidation inhibitor]Everolimus Impurity 463,5-DI-TERT-BUTYL-4-HYDROXYANISOL4-METHOXY-2-6-DI-TERT-BUTYLPHENOL2,6-di-tert-butyl-4-methoxy-pheno

RefChem:831033,5-DTBHA207-693-0MFCD00008824EINECS 207-693-02,6-bis(tert-butyl)-4-methoxyphenol2,6-di-t-butyl-4-methoxyphenol2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol

Datenbank-Bezeichner

CAS: 489-01-0
PubChem CID: 10269
DTXSID: DTXSID8041379
ChEMBL: CHEMBL98253
ChEBI: CHEBI:183868
UNII: 616072TMXY
EC Number: 207-693-0
Nikkaji: J151.263C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 223

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1527

Collision Cross Section157.2 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8041379]；160.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8041379]

Physikochemische Eigenschaften

Schmelzpunkt: 102 · 102-106 °C (lit.)
Siedepunkt: 135 · 135-140°C 10mm
Dichte: 0.9845 · 0.9845 (rough estimate)
Brechungsindex: 1.5542 · 1.5542 (estimate)
Flammpunkt: 135 · 135-140°C/10mm
storage temp.: 2 · 2-8°C, stored under nitrogen
Löslichkeit: soluble in Methanol
pka: 13.04 · 13.04±0.40(Predicted)
Aggregatzustand: Liquid
Farbe: Clear
BRN: 2052290 · 2052290
InChI: InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
InChIKey: SLUKQUGVTITNSY-UHFFFAOYSA-N
SMILES: C1(O)=C(C(C)(C)C)C=C(OC)C=C1C(C)(C)C
CAS Datenbank: 489 · 489-01-0(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2,6-Di-tert-butyl-4-methoxyphenol (489-01-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 46 reports by companies from 6 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.