tert-Butyl-4-methoxyphenol

2-tert-Butyl-4-methoxyphenol

HCID 8456CAS 121-00-6

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Grundinformationen

Standard-SMILES: COc1ccc(O)c(C(C)(C)C)c1
InChIKey: MRBKEAMVRSLQPH-UHFFFAOYSA-N
Summenformel: C11H16O2
Durchschnittliche Molmasse: 180,247 g/mol
Monoisotopische Masse: 180,11502975

Namen und Bezeichner

Bevorzugter Name: 2-tert-Butyl-4-methoxyphenol
IUPAC: 2-tert-Butyl-4-methoxyphenol
Lokaler Name: tert-Butyl-4-methoxyphenol
Englischer Name: Butylated hydroxyanisole
Summenformel: C11H16O2
Molmasse: 180.24354

Namen und Synonyme

BHABUTYLHYDROXYANISOLEBOAButylhydroxyanisolTERT-BUTYL-4-HYDROXYANISOLE2-TERT-BUTYL-4-METHOXYPHENOLtert-butyl-4-methoxyphenolE320Butyl hydroxy anisdButylated hydroxyanisole,2(3)-t-Butyl-4-hydroxyanisole, 2(3)-t-Butylhydroquinone monomethyl ether, BHA

Datenbank-Bezeichner

CAS: 121-00-6、25013-16-5、921-00-6
PubChem CID: 8456
DTXSID: DTXSID7040788
ChEMBL: CHEMBL192451、CHEMBL4296740
ChEBI: CHEBI:76358
UNII: 62RAC24292
EC Number: 204-442-7、246-563-8
Nikkaji: J2.483J

Eigenschaften

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-60 °C(lit.)
Siedepunkt: 264 · 264-270°C
Dichte: 0.9976 · 0.9976 (rough estimate)
Dampfdichte: 6.2 · 6.2 (vs air)
Brechungsindex: 1.491 · 1.4910 (estimate)
FEMA: 2183 · 2183 | BUTYLATED HYDROXYANISOLE
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 50 % · Practically insoluble in water; soluble in methanol; freely soluble in ≥50% aqueous ethanol, propylene glycol, chloroform, ether, hexane, cottonseed oil, peanut oil, soybean oil, glyceryl monooleate, and lard, and in solutions of alkali hydroxides.
Aggregatzustand: Crystalline Flakes or Crystals
Farbe: White to pale yellow
Geruch (Odor): mild rubbery
Geruchsart: rubbery
Biologische Quelle: synthetic
Wasserlöslichkeit: 0.1 g/100 · <0.1 g/100 mL at 18.5 ºC
Merck: 14 · 14,1547
Henry's Law Constant: 8.4 · 8.4×100 mol/(m3Pa) at 25℃, HSDB (2015)
Stabilität: Stable, combustible. Incompatible with oxidizing agents, ferric salts. Degrades on long exposure to sunlight.
Kosmetik-Inhaltsstoffe Funktionen: ANTIOXIDANTFRAGRANCE
InChI: 1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChIKey: WYEIRNDSZQKIDQ-UHFFFAOYSA-N
SMILES: O(C)c1cc(c(cc1)O)C(C)(C)C
LogP: 3 · 3.00
EPA chemische Informationen: Butylated hydroxyanisole (25013-16-5)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: 2811
hs_code: 29093090
RTECS-Nr.: SL1945000
risk_code: 22-40-36/37/38-51/53
Toxizität: LD50 in mice, rats (mg/kg): 2000, 2200 orally (Lehman)
hazard_code: Xn
safety_code: 36/37-36/37/39-26-61-29
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 25013-16-5(Hazardous Substances Data)
Hazard Classifications: Aquatic Chronic 2
Selbstentzündungstemperatur: 599 °F

Chemie und Industrie

Anwendungen · 3 Einträge

BeschreibungButylated hydroxyanisole (BHA) is an antioxidant widely used in food. Because it is contained in pastry, it can induce sensitization in caterers.

OccurrenceBHA is not known to occur as a natural product.

VerwendenButylated Hydroxyanisole is an antioxidant consisting of a mixture of two isomers of tert-butyl-4-hydroxyanisole. Butylated Hydroxyanisole is used in food preservation as it antioxidant properties pre vent food from becoming rancid. Butylated Hydroxyanisoleas is also used in animal feed, petroleum products, and cosmetics.