ethyl para-methyl-beta-phenyl glycidate
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IUPAC name :ethyl 3-(4-methylphenyl)oxirane-2-carboxylate
InChI :InChI=1/C12H14O3/c1-3-14-12(13)11-10(15-11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3
InChIKey :UMSHXRVBYUKRDF-UHFFFAOYAP
SMILES :CCOC(=O)C1C(O1)C2=CC=C(C=C2)C
cas number :52788-71-3
(EINECS) number :258-180-3
molar refractivity :55.68 ± 0.3 cm3
parachor :454.5 ± 6.0 cm3
index of refraction :1.534 ± 0.02
surface tension :41.6 ± 3.0 dyne/cm
density :1.153 ± 0.06 g/cm3
polarizability :22.07 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 206.2377600 (IUPAC)
formula :C12 H14 O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Berje :Aldehyde C-20
Penta :aldehyde C-20
fragrance grade
Penta :aldehyde C-20
food grade, Kosher

organoleptics :
odor strength :medium
odor description:
at 100.00 %.  
sweet raspberry floral rose
substantivity :312  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 290.00 to 292.00 °C. @ 760.00 mm Hg
flash point : 243.00  °F.  TCC  ( 117.22 °C. )
logP (o/w) : 2.35

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

safety in use :
 
recommendation for ethyl para-methyl-beta-phenyl glycidate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
ethyl 3-(4-methylphenyl)oxirane-2-carboxylate
(EINECS) number :258-180-3
chemidplus :052788713
EPA Substance Registry Services :52788-71-3

references :
 
ethyl 3-(4-methylphenyl)oxirane-2-carboxylate
pubchem :681136

other :
synonyms :
 aldehyde C-20
 ethyl 3-(4-methyl phenyl) glycidate
 ethyl 3-(4-methylphenyl)oxirane-2-carboxylate
 ethyl 3-para-tolyl oxirane-2-carboxylate
3-(4-methyl phenyl) oxirane carboxylic acid ethyl ester
3-(para-tolyl) glycidic acid ethyl ester

soluble in :
 alcohol
 dipropylene glycol

insoluble in :
 water

potential uses :
 blackberry
 chypre
 raspberry
 rose
 strawberry

natural occurrence in :
 not found in nature  



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