butylated hydroxyanisole
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IUPAC name :2-tert-butyl-4-methoxyphenol
InChI :InChI=1/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChIKey :MRBKEAMVRSLQPH-UHFFFAOYAK
SMILES :CC(C)(C)C1=C(C=CC(=C1)OC)O
cas number :25013-16-5
(EINECS) number :246-563-8
fema number :2183
molar refractivity :53.20 ± 0.3 cm3
parachor :426.9 ± 4.0 cm3
index of refraction :1.507 ± 0.02
surface tension :32.7 ± 3.0 dyne/cm
density :1.009 ± 0.06 g/cm3
polarizability :21.09 ± 0.5 10-24cm3
XlogP : 3.10
XlogP3 : 3.20
molecular weight : 180.2435400 (IUPAC)
formula :C11 H16 O2
BioActivity Analysis :48413346
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :166.110
172.110
172.115
172.185
172.515
172.615
173.340
175.105
175.125
175.300
175.380
175.390
176.170
176.210
177.1010
177.1210
177.1350
178.3570
179.45
181.24
182.3169

Suppliers :
Moellhausen :BHA
98% min. artifical kosher
Nanjing :2(3)-tert-Butyl-4-methoxyphenol
Penta :butylated hydroxyanisole
Pfaltz & Bauer :tert-Butylhydroxyanisole
Sigma-Aldrich-SAFC :Butylated hydroxyanisole
≥98.5%, FCC, Kosher, FG

organoleptics :
odor strength :low
odor description :
at 100.00 %.  
mild rubbery

properties :
appearence :white to pale yellow solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 58.00 to 60.00 °C. @ 760.00 mm Hg
boiling point : 268.00 to 269.00 °C. @ 760.00 mm Hg
vapor density :6.2 ( Air = 1 )
flash point : 235.00  °F.  TCC  ( 112.78 °C. )
logP (o/w) : 3.00
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 40 - Possible risks of irreversable effects.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    2910.00  mg/kg
Tokyo Metropolitan Research Laboratory of Public Health. Vol. 22, Pg. 231, 1970.

Intraperitoneal-Rat    32.00  mg/kg
Toxicology Letters. Vol. 27, Pg. 15, 1985.

Oral-Mouse    1583.00  mg/kg
Metropolitan Research Laboratory of Public Health. Vol. 22, Pg. 231, 1970.

Intraperitoneal-Mouse    29.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-tert-butyl-4-methoxyphenol
(EINECS) number :246-563-8
RTECS :SL1945000 for 25013-16-5
chemidplus :000121006
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :25013-16-5

references :
 2-tert-butyl-4-methoxyphenol
NIST Chemistry WebBook :4106913113
pubchem :151612

Cosmetics :
Cosmetic uses : antioxidants
masking agents

other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 bha
 butyl hydroxyanisole
tert-butyl hydroxyanisole
2(3)-tert-butyl-4-hydroxyanisole
tert-butyl-4-hydroxyanisole
2-tert-butyl-4-methoxyphenol
2-tert-butyl-4-methoxyphenyl and 3-tert-butyl-4-methoxyphenol
(1,1-dimethyl ethyl)-4-methoxyphenol
 embanox

soluble in :
 alcohol
 water, 213 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) used in :
 antioxidants

natural occurrence in :
not found in nature



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