2,2'-Methylenebis(4-methyl-6-tert-butylphenol) Structure

2,2'-Methylenebis(4-methyl-6-tert-butylphenol)

Chemical Properties

Melting point 123-127 °C(lit.)
Boiling point 187℃
Density  1.04g/cm3
bulk density 300kg/m3
vapor pressure  <1 hPa
refractive index  1.4480 (estimate)
Flash point 195°C(383°F)
storage temp.  Store below +30°C.
solubility  0.007mg/l practically insoluble
form  White to off-white solid.
pka 11.32±0.48(Predicted)
color  White to Off-White
PH 4-7 (H2O, 20℃)(aqueous suspension)
Water Solubility  7μg/L at 20℃
Henry's Law Constant 1.2×106 mol/(m3Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions ANTIOXIDANT
InChI 1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
InChIKey KGRVJHAUYBGFFP-UHFFFAOYSA-N
SMILES Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C
LogP 6.25 at 20℃
Substances of Very High Concern (SVHC) Candidate List 6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol (119-47-1)
FDA 21 CFR 175.105; 177.2470; 177.2480;177.2600; 178.2010
Indirect Additives used in Food Contact Substances 2,2'-METHYLENEBIS(4-METHYL-6-TERT-BUTYLPHENOL)
CAS DataBase Reference 119-47-1(CAS DataBase Reference)
EWG's Food Scores 1-4
FDA UNII KVM0X4X57B
NIST Chemistry Reference Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-(119-47-1)
EPA Substance Registry System 2,2'-Methylenebis(6-tert-butyl-p-cresol) (119-47-1)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Health Hazard (GHS08)
Signal wordWarning
Hazard statements H361f-H413
Precautionary statements P201-P273-P308+P313
Hazard Codes  Xi,Xn
Risk Statements  36-62-53
Safety Statements  26-36-60-36/37
WGK Germany  1
RTECS  PA3500000
Autoignition Temperature 350 °C
TSCA  TSCA listed
HS Code  29072900
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Repr. 1B
Hazardous Substances Data 119-47-1(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 4880 mg/kg LD50 dermal Rabbit > 2000 mg/kg
NFPA 704:
1
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2,2'-Methylenebis(4-methyl-6-tert-butylphenol) Chemical Properties,Usage,Production

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