3-tert-Butylphenol Structure

3-tert-Butylphenol

Chemical Properties

Melting point 44-46 °C (lit.)
Boiling point 125-130 °C/20 mmHg (lit.)
Density  0.9688 (estimate)
refractive index  1.5108 (estimate)
Flash point 228 °F
storage temp.  Inert atmosphere,Room Temperature
Water Solubility  Practically insoluble in water
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Crystalline Powder
pka 10.12(at 25℃)
color  White to almost white
Henry's Law Constant 5.1×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI 1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
InChIKey CYEKUDPFXBLGHH-UHFFFAOYSA-N
SMILES CC(C)(C)c1cccc(O)c1
LogP 3.300
CAS DataBase Reference 585-34-2(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 2382U55WN2
NIST Chemistry Reference Phenol, m-tert-butyl-(585-34-2)
EPA Substance Registry System m-tert-Butylphenol (585-34-2)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordDanger
Hazard statements H314
Precautionary statements P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Hazard Codes  C
Risk Statements  34-20/21/22
Safety Statements  26-27-28-36/37/39-45
RIDADR  UN 2430 8/PG 3
WGK Germany  3
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29071990
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Eye Dam. 1
Skin Corr. 1B
NFPA 704:
1
3 0

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