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121-00-6

121-00-6 Structure

121-00-6 Structure
IdentificationMore
[Name]

3-TERT-BUTYL-4-HYDROXYANISOLE
[CAS]

121-00-6
[Synonyms]

2-TERT-BUTYL-4-METHOXYPHENOL
3-BHA
3-T-BUTYL-4-HYDROXYANISOLE
3-TERT-BUTYL-4-HYDROXYANISOLE
4-HYDROXY-3-TERT-BUTYLANISOLE
AKOS BBS-00008117
AURORA 4808
BHA
BUTYLATED HYDROXYANISOLE
BUTYL HYDROXY ANISOLE
TERT-BUTYL HYDROXYANISOLE
2-(1,1-dimethylethyl)-4-methoxy-pheno
2-(1,1-Dimethylethyl)-4-methoxyphenol
2-(1,1-dimethylethyl)-4-methoxy-Phenol
2-1,1-Dimethylethyl-4-methoxyphenol
2-t-Butyl-4-methoxyphenol
2-tert-
2-tert-Bha
2-tert-butyl-4
2-tert-butyl-4-methoxy-pheno
[EINECS(EC#)]

204-442-7
[Molecular Formula]

C11H16O2
[MDL Number]

MFCD00040484
[Molecular Weight]

180.24
[MOL File]

121-00-6.mol
Chemical PropertiesBack Directory
[Melting point ]

58-64 °C
[Boiling point ]

269℃
[density ]

1.009
[vapor pressure ]

1.33 hPa (105 °C)
[refractive index ]

1.4708 (estimate)
[Fp ]

110 °C
[storage temp. ]

0-6°C
[solubility ]

ethanol: soluble1g/10 mL, clear, colorless to faint yellow or tan
[form ]

Powder/Waxy Solid
[pka]

11.83±0.18(Predicted)
[color ]

White to off-white
[PH]

4.8 (25°C, 10g/L in H2O)
[Water Solubility ]

610-3400mg/L at 27-29℃
[BRN ]

1867499
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
[InChIKey]

MRBKEAMVRSLQPH-UHFFFAOYSA-N
[SMILES]

COc1ccc(O)c(c1)C(C)(C)C
[LogP]

1-2.82 at 25-27℃
[CAS DataBase Reference]

121-00-6(CAS DataBase Reference)
[EPA Substance Registry System]

Phenol, 2-(1,1-dimethylethyl)-4-methoxy- (121-00-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P501
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

3077
[WGK Germany ]

2
[RTECS ]

SK1575000
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

2909500000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
[Hazardous Substances Data]

121-00-6(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 880 mg/kg
Hazard InformationBack Directory
[Chemical Properties]

3-tert-butyl-4-hydroxyanisole is a colorless (white) crystals. Insoluble in water, soluble in alcohol, soluble at 0.05% to 0.20% in most oils. Very faint phenolic type odor.
[Uses]

An antioxidant stabilizer of fats that has shown carcinogenicity at high doses
[Uses]

antioxidant in foods (beverages, gum, ice cream, fruits, cereals), cosmetics, topical medications, animal feeds, petroleum products, jet fuels, rubber, plastics, paints, glues.
[Application]

3-tert-butyl-4-hydroxyanisole is used as an Antioxidant in foods, usually in combination with Propyl gallate and Citric acid for synergistic effect in Propylene glycol solution. Combinations with BHT (Butyl hydroxy toluene) are also used.
[Definition]

ChEBI: 3-tert-butyl-4-hydroxyanisole is an aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the phenolic hydroxy group is replaced by a tert-butyl group. It has a role as an antioxidant and a human xenobiotic metabolite. It is a member of phenols and an aromatic ether.
[Preparation]

from iso-Butylene and pura-Methoxyphenol.
[General Description]

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
3-tert-Butyl-4-hydroxyanisole is a synthetic antioxidant, widely used as a food additive to prevent oxidative deterioration of fats and oils.
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Fractionally distil the phenol in vacuo, then pass it as a solution in CHCl3 through alumina, and evaporate the eluate. Recrystallise the residue from pet ether. [Beilstein 6 IV 6013.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-TERT-BUTYL-4-HYDROXYANISOLE(121-00-6)MS
3-TERT-BUTYL-4-HYDROXYANISOLE(121-00-6)1HNMR
3-TERT-BUTYL-4-HYDROXYANISOLE(121-00-6)13CNMR
3-TERT-BUTYL-4-HYDROXYANISOLE(121-00-6)IR1
3-TERT-BUTYL-4-HYDROXYANISOLE(121-00-6)IR2
3-TERT-BUTYL-4-HYDROXYANISOLE(121-00-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

121-00-6(sigmaaldrich)
[TCI AMERICA]

4-Hydroxy-3-tert-butylanisole,>98.0%(GC)(121-00-6)
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