2,2-Bis(4-hydroxyphenyl)butane Structure

2,2-Bis(4-hydroxyphenyl)butane

Chemical Properties

Melting point 126°C
Boiling point 345.14°C (rough estimate)
Density  1.0537 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 10.27±0.10(Predicted)
color  White to Off-White
Henry's Law Constant 8.2×105 mol/(m3Pa) at 25℃, HSDB (2015)
InChI InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3
InChIKey HTVITOHKHWFJKO-UHFFFAOYSA-N
SMILES C(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)(C)CC
Substances of Very High Concern (SVHC) Candidate List 4,4'-(1-methylpropylidene)bisphenol (77-40-7)
FDA 21 CFR 175.300
Indirect Additives used in Food Contact Substances BISPHENOL B
CAS DataBase Reference 77-40-7(CAS DataBase Reference)
FDA UNII 1RC731TJJA
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H319-H413
Precautionary statements P264-P270-P273-P280-P301+P312-P305+P351+P338
Risk Statements  36/37/38
Safety Statements  26-36/37/39
WGK Germany  WGK 3
RTECS  SM1210200
HazardClass  IRRITANT
HS Code  29242995
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 4
Eye Irrit. 2
Hazardous Substances Data 77-40-7(Hazardous Substances Data)
NFPA 704:
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