96175
3-tert-Butyl-4-hydroxyanisole
tested according to Ph. Eur.
Synonym(s):
Butylhydroxyanisolum, 2-tert-Butyl-4-methoxyphenol, 3-BHA, BHA
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About This Item
Empirical Formula (Hill Notation):
C11H16O2
CAS Number:
Molecular Weight:
180.24
EC Number:
204-442-7
UNSPSC Code:
12352300
PubChem Substance ID:
Beilstein/REAXYS Number:
1867499
MDL number:
Quality Level
agency
USP/NF, tested according to Ph. Eur.
form
solid
application(s)
pharmaceutical (small molecule)
SMILES string
COc1ccc(O)c(c1)C(C)(C)C
InChI
1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChI key
MRBKEAMVRSLQPH-UHFFFAOYSA-N
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hcodes
pcodes
Hazard Classifications
Aquatic Chronic 2
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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K Tajima et al.
Drug metabolism and disposition: the biological fate of chemicals, 20(6), 816-820 (1992-11-01)
3-Tert-butyl-4-hydroxyanisole (3-BHA) was metabolized in the presence of horseradish peroxidase and hydrogen peroxide to 2-tert-butyl-p-benzoquinone (TBQ), 2,3-epoxy-5-tert-butyl-1,4-benzoquinone (TBQ-epoxide), and two known dimers. The formation of TBQ from 3-BHA required both horseradish peroxidase and hydrogen peroxide. When 2.5 mM 3-BHA was
A Matsuoka et al.
Mutation research, 241(2), 125-132 (1990-06-01)
The mutagenicity of 3-tert-butyl-4-hydroxyanisole (BHA) and its metabolites was investigated in the reverse mutation assay using S. typhimurium strains and the chromosomal aberration test in vitro using a Chinese hamster fibroblast cell line, CHL. BHA, tert-butylhydroquinone (BHQ), tert-butylquinone (BQ) and
L K Lam et al.
Carcinogenesis, 12(12), 2311-2315 (1991-12-01)
Carcinogen-induced aberrant crypts (AC) of the colon are a precancerous state that leads to malignancy. The inhibition of AC formation by chemopreventive agents was evaluated in this study. Colon AC were induced by 1,2-dimethylhydrazine (DMH) in 3 weeks in CF1