4-tert-butyl phenol
 
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IUPAC name :4-tert-butylphenol
InChI :InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKey :QHPQWRBYOIRBIT-UHFFFAOYAM
SMILES :CC(C)(C)C1=CC=C(C=C1)O
(EINECS) number :202-679-0
cas number :98-54-4
beilstein number :1817334
fema number :3918
jecfa number :733
fl. number :04.064
molar refractivity :46.52 ± 0.3 cm3
parachor :370.3 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :32.9 ± 3.0 dyne/cm
density :0.971 ± 0.06 g/cm3
polarizability :18.44 ± 0.5 10-24cm3
xlogp : 3.40
molecular weight : 150.2175600
formula :C10 H14 O
BioActivity Analysis :70137
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :4-tert-Butyl phenol
 ≥99%
 
 

organoleptics :
odor type :leathery
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
oakmoss leather

properties :
appearence :colorless to amber powder
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 98.00 - 101.00 °C. @ 760.00 mm Hg
boiling point : 236.00 - 238.00 °C. @ 760.00 mm Hg
logp : 3.31

safety :
most important hazard(s) : Xi N - Irritant, Dangerous for the environment.
  
Oral Toxicity(LD50) : Oral-Rat    3250.00  ul/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  2520.00  ul/kg    
  
flash point ( Deg. F. ) :> 200.00  °F.  TCC  ( > 93.33 °C. )
  
IFRA critical Effect :Sensitization and depigmentation
recommendation for 4-tert-butyl phenol usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
  

safety links :
(EINECS) number :202-679-0
rtecs :SJ8925000 for 98-54-4
chemidplus :000098544
epa-srs :98-54-4
dtp/nci :3697
  
EPI System :Click here
ifra :ifra - ( Found under : p-tert-Butylphenol )

other :
 

references :
jecfa number :733
fl. number :04.064
pubchem :150457
NIST Chemistry WebBook :2098037944
  
synonyms :
 butyl phen
2-tert-butyl phenol
4-tert-butyl phenol
para-tert-butyl phenol
4-(1,1-dimethyl ethyl) phenol
1-hydroxy-4-tert-butyl benzene
soluble in :
 alcohol
 water, 580 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 algae absolute
 amber oil
alpha-amyl cinnamyl acetate
2-isobutyl quinoline
isobutyl quinoline
isobutyl quinoline
6-tert-butyl-meta-cresol
 cananga fruit oil
 cananga leaf oil
 cananga oil
 cananga oil china
 castoreum absolute
 citronellol
(±)-citronellol
meta-cresol
 cuminyl alcohol
2,6-dimethoxy-4-vinyl phenol
 dimethyl octanol
2,3-dimethyl pyrazine
 ethyl 3-hydroxyhexanoate
3-ethyl pyridine
 floral methanol
2-furfurylidene butyraldehyde
 genet absolute
 leather cyclohexanol
 leather notes
 leather propionate
 lovage root oil
 marine pyridine
 methyl cedryl ketone
 methyl delta-ionone
4-methyl guaiacol
6-methyl quinoline
 oakmoss enhancer
 oakmoss notes
 oakmoss oil
 oakmoss phenol
 orris pyridine
 osmanthus absolute
 phenoxyacetaldehyde 50% in benzyl alcohol
 saffron indenone
 thyme undecane
 verymoss
 woody leather notes
(odor and/or flavor) used in :
 animal
 leather
natural occurrence in :
not found in nature



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