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98-54-4

Name 4-tert-Butylphenol
CAS 98-54-4
EINECS(EC#) 202-679-0
Molecular Formula C10H14O
MDL Number MFCD00002367
Molecular Weight 150.22
MOL File 98-54-4.mol

Chemical Properties

Appearance The butylphenols include several isomers. Solid butylphenols (28805-86-9) generally have properties similar to the above:
Melting point  96-101 °C(lit.)
Boiling point  236-238 °C(lit.)
density  0.908 g/mL at 25 °C(lit.)
vapor pressure  1 mm Hg ( 70 °C)
FEMA  3918
refractive index  1.4787
Fp  113 °C
storage temp.  room temp
solubility  ethanol: soluble50mg/mL, clear, colorless
form  Flakes or Pastilles
pka 10.23(at 25℃)
color  White to light beige
Specific Gravity 0.908
Odor at 1.00 % in propylene glycol. oakmoss leather
PH 7 (10g/l, H2O, 20℃)
Stability: Stable. Incompatible with copper, steel, bases, acid chlorides, acid anhydrides, oxidizing agents.
explosive limit 0.8-5.3%(V)
Odor Type leathery
Water Solubility  8.7 g/L (20 ºC)
JECFA Number 733
Merck  14,1585
BRN  1817334
Contact allergens
Para-tert-butylphenol is used with formaldehyde to produce the polycondensate p-tert-butylphenol-formaldehyde resins (PTBPFR). Major occupational sources are neoprene glues and adhesives in industry, in the shoemaking and leather industries or in car production. It is also used as a box preservative in box and furniture manufacture and in the production of casting molds, car brake linings, insulated electrical cables, adhesives, printing inks, and paper laminates. Para-tertbutylphenol seems to be the sensitizer
InChIKey QHPQWRBYOIRBIT-UHFFFAOYSA-N
LogP 3 at 23℃
Uses
Plasticizer for cellulose acetate; intermediate for antioxidants, special starches, oil-soluble phe- nolic resins; pour-point depressors and emulsion breakers for petroleum oils and some plastics; syn- thetic lubricants; insecticides; industrial odorants; motor-oil additives.
CAS DataBase Reference 98-54-4(CAS DataBase Reference)
NIST Chemistry Reference Phenol, p-tert-butyl-(98-54-4)
EPA Substance Registry System p-tert-Butylphenol (98-54-4)

Safety Data

Hazard Codes  Xi,N
Risk Statements 
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  SJ8925000
TSCA  Yes
HazardClass  8
PackingGroup  III
HS Code  29071900
Safety Profile
Poison by intraperitoneal route. Moderately toxic by skin contact and ingestion. A skin and severe eye irritant. Questionable carcinogen with experimental neoplastigenic data. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid and irritating fumes. See also PHENOL and other butyl phenols.
Hazardous Substances Data 98-54-4(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 3.25 ml/kg (Smyth)

Hazard Information

Material Safety Data Sheet(MSDS)

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