ortho-cresyl salicylate
 
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IUPAC name :(2-methylphenyl) 2-hydroxybenzoate
InChI :InChI=1/C14H12O3/c1-10-6-2-5-9-13(10)17-14(16)11-7-3-4-8-12(11)15/h2-9,15H,1H3
InChIKey :KITKATPLNVHGFC-UHFFFAOYAZ
SMILES :CC1=CC=CC=C1OC(=O)C2=CC=CC=C2O
(EINECS) number :210-500-2
cas number :617-01-6
fema number :3734
jecfa number :907
fl. number :09.807
molar refractivity :64.60 ± 0.3 cm3
parachor :497.3 ± 4.0 cm3
index of refraction :1.605 ± 0.02
surface tension :49.4 ± 3.0 dyne/cm
density :1.216 ± 0.06 g/cm3
polarizability :25.61 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 228.2432800
formula :C14 H12 O3
 
 
export tariff code :2918.23.0000
fda reg :unspecified
 
 

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
herbal eucalyptus

properties :
appearence :colorless solid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.16400 - 1.17400 @ 25.00 °C.
pounds per gallon - calc. : 9.686 to 9.769
refractive index :1.57600 - 1.58400 @ 20.00 °C.
boiling point : 180.00 °C. @ 2.00 mm Hg
boiling point : 378.00 - 379.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.01

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :30.00 (μg/capita/day)
  
flash point ( Deg. F. ) : 324.00  °F.  TCC  ( 162.22 °C. )
  
recommendation for ortho-cresyl salicylate usage levels up to :
  0.1000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :210-500-2
chemidplus :000617016
epa-srs :617-01-6
dtp/nci :65073
  

other :
 

references :
jecfa number :907
fl. number :09.807
pubchem :197416
  
synonyms :
ortho-cresyl salicylate
2-hydroxybenzoic acid 2-methyl phenyl ester
2-methyl phenyl 2-hydroxybenzoate
(2-methyl phenyl) 2-hydroxybenzoate
 salicylic acid ortho-tolyl ester
ortho-tolyl salicylate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 balsam
 herbal
natural occurrence in :
not found in nature



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