cherry oxyacetate
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IUPAC name :ethyl 2-(4-methylphenoxy)acetate
InChI :InChI=1/C11H14O3/c1-3-13-11(12)8-14-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey :UMNOIMVMNARUSB-UHFFFAOYAK
SMILES :CCOC(=O)COC1=CC=C(C=C1)C
cas number :67028-40-4
(EINECS) number :266-554-2
fema number :3157
coe number :2243
jecfa number :1027
fl. number :09.797
molar refractivity :53.42 ± 0.3 cm3
parachor :445.6 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :35.3 ± 3.0 dyne/cm
density :1.063 ± 0.06 g/cm3
polarizability :21.18 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 194.2270600 (IUPAC)
formula :C11 H14 O3
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Penta :ethyl-(p-tolyloxy) acetate

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fruity cherry hay powdery

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.07500 to 1.08000 @ 20.00 °C.
pounds per gallon - calc. : 8.956 to 8.997
refractive index :1.49900 to 1.50600 @ 20.00 °C.
boiling point : 120.00 to 121.00 °C. @ 1.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.40

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

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :ND (μg/capita/day)
Structure Class :III
 
recommendation for cherry oxyacetate usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for cherry oxyacetate usage levels up to :
  50.0000 ppm in the flavor.

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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 ethyl 2-(4-methylphenoxy)acetate
(EINECS) number :266-554-2
chemidplus :067028404
EPA Substance Registry Services :67028-40-4

references :
 ethyl 2-(4-methylphenoxy)acetate
fl. number :09.797
jecfa number :1027
pubchem :199015

other :
synonyms :
 ethyl (4-methyl phenoxy) acetate
 ethyl (para-tolyl oxy) acetate
 ethyl 2-(4-methylphenoxy)acetate
 ethyl para-cresoxyacetate
 ethyl para-tolyl oxyacetate
(4-methyl phenoxy) acetic acid ethyl ester
para-tolyl oxyacetic acid ethyl ester

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetophenone
2-acetyl furan
 acetyl methyl anthranilate
 allyl 2-ethyl butyrate
 allyl benzoate
 allyl isovalerate
 almond oil bitter
isoamyl 2-methyl butyrate
 amyl butyrate
ortho-anisaldehyde
para-anisyl acetate
para-anisyl propionate
 benzaldehyde
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde dimethyl acetal
 benzaldehyde glycrol acetal
2-benzofuran carboxaldehyde
 benzyl cinnamate
 bread thiophene
 butyrophenone
 cherry laurel oil
 cherry pentenoate
 cherry propanol
 chocolate pyrazine A
 chocolate pyrazine B
 cinnamyl isovalerate
 cocoa pyrazine
 coconut absolute
 cyclohexyl cinnamate
 cyclohexyl formate
 dibenzyl ketone
2,4-dimethyl benzaldehyde
2,4-dimethyl-5-vinyl thiazole
 ethyl 2-phenyl-3-furoate
4-ethyl benzaldehyde
 ethyl benzoyl acetate
 ethyl methyl-para-tolyl glycidate
5-ethyl-2-thiophene carboxaldehyde
2-ethyl-3,5(6)-dimethyl pyrazine mixture
 furfural
 geranyl crotonate
(E,E)-2,4-heptadien-1-ol
 heptyl isobutyrate
2,4-hexadien-1-ol
3,4-hexane dione
2-hexen-1-al
2'-hydroxyacetophenone
2-methoxy-3-methyl pyrazine
2'-methoxyacetophenone
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
2-methoxypyrazine
 methyl (E)-cinnamate
para-methyl anisole
 methyl benzoate
 methyl cinnamate
 methyl furfuracrylate
 methyl phenyl acetate
2-methyl pyrazine
2-methyl quinoxaline
4-methyl salicylaldehyde
3-methyl-2-buten-1-al
2-methyl-3-(methyl thio) pyrazine
2-methyl-3,(5 or 6)-ethoxypyrazine
 nutty cyclohexenone
laevo-perillaldehyde
 phenoxyethyl isobutyrate
 phenyl acetaldehyde diethyl acetal
 phenyl acetaldehyde diisobutyl acetal
 phenyl pyruvic acid
 powdery ketone
 raspberry ketone methyl ether
2,3,5,6-tetramethyl pyrazine
 tolualdehyde glyceryl acetal
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde
 valeraldehyde

(odor and/or flavor) used in :
 cherry
 chocolate cocoa
 nut
 tobacco tabac tabaco

natural occurrence in :
not found in nature



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Html Last modified 09/26/2009