para-anisic acid
 
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IUPAC name :4-methoxybenzoic acid
InChI :InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey :ZEYHEAKUIGZSGI-UHFFFAOYAA
SMILES :COC1=CC=C(C=C1)C(=O)O
(EINECS) number :202-818-5
cas number :100-09-4
beilstein number :0508910
fema number :3945
coe number :10077
jecfa number :883
fl. number :08.071
molar refractivity :39.86 ± 0.3 cm3
parachor :326.0 ± 4.0 cm3
index of refraction :1.545 ± 0.02
surface tension :44.9 ± 3.0 dyne/cm
density :1.207 ± 0.06 g/cm3
polarizability :15.80 ± 0.5 10-24cm3
xlogp : 1.60
molecular weight : 152.1473200
formula :C8 H8 O3
BioActivity Analysis :73685
 
 
fda reg :unspecified h. number :2915.13.0000
organoleptics : 
odor type :animal
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
faint putrid sweet cadaverous
properties : 
appearence :colorless crystals
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 183.00 - 186.00 °C. @ 760.00 mm Hg
boiling point : 275.00 - 280.00 °C. @ 760.00 mm Hg
logp : 1.96
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 365.00  °F.  TCC  ( 185.00 °C. )
  
recommendation for para-anisic acid usage levels up to :
  0.1000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :202-818-5
rtecs :BZ4395000 for 100-09-4
chemidplus :000100094
epa-srs :100-09-4
dtp/nci :7926
  
other : 
 
references : 
jecfa number :883
fl. number :08.071
pubchem :150551
  
synonyms :
4-anisic acid
para-anisic acid
 draconic acid
4-methoxybenzoic acid
para-methoxybenzoic acid
soluble in :
 alcohol
 ether
 water, 530 mg/L @ 37C
insoluble in :
 water, hot
(odor and/or flavor) used in :
 animal
 fixer
natural occurrence in :
anise oils
castoreum
vanilla beans



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