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
cas number :617-01-6
(EINECS) number :210-500-2
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
XlogP3 : 3.80
molecular weight : 228.2432800 (IUPAC)
formula :C14 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2918.23.0000
fda reg :unspecified

Suppliers :
Need This Molecule?:You can contact the Chemical Sources Association and ask the Sourceress.

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 semi-solid to solid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.16400 to 1.17400 @ 25.00 °C.
pounds per gallon - calc. : 9.686 to 9.769
refractive index :1.57600 to 1.58400 @ 20.00 °C.
boiling point : 180.00 °C. @ 2.00 mm Hg
boiling point : 378.00 to 379.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 324.00  °F.  TCC  ( 162.22 °C. )
logP (o/w) : 4.01

safety :
Oral Toxicity(LD50) : 
  Oral-Rat   [sex: M,F]  1.81  ml/kg
(Sterner & Chibanguza, 1983)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :30.00 (μg/capita/day)
 
recommendation for ortho-cresyl salicylate fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 
(2-methylphenyl) 2-hydroxybenzoate
(EINECS) number :210-500-2
chemidplus :000617016
EPA Substance Registry Services :617-01-6
dtp/nci :65073

references :
 
(2-methylphenyl) 2-hydroxybenzoate
fl. number :09.807
jecfa number :907
pubchem :197416

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-hydroxybenzoic acid 2-methyl phenyl ester
2-methyl phenyl 2-hydroxybenzoate
(2-methyl phenyl) 2-hydroxybenzoate
(2-methylphenyl) 2-hydroxybenzoate
 salicylic acid ortho-tolyl ester
ortho-tolyl salicylate

Similar Products:    note
 allyl salicylate
 amyl salicylate
isoamyl salicylate
 benzyl salicylate
 bornyl salicylate
 butyl salicylate
isobutyl salicylate
 cinnamyl salicylate
para-cresyl salicylate
 cyclohexyl salicylate
 decyl salicylate
2-ethyl hexyl salicylate
 ethyl salicylate
 heptyl salicylate
(E)-2-hexen-1-yl salicylate
(Z)-3-hexen-1-yl salicylate
 hexyl salicylate
 menthyl salicylate
homomenthyl salicylate
2-methyl butyl salicylate
 methyl salicylate
 octyl salicylate
 phenethyl salicylate
3-phenyl propyl salicylate
 phenyl salicylate
 prenyl salicylate
 propyl salicylate
isopropyl salicylate

soluble in :
 alcohol

insoluble in :
 water

potential uses :
 balsam
 herbal

natural occurrence in :    note
 not found in nature  

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