alpha-ethoxy-ortho-cresol
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IUPAC name :2-(ethoxymethyl)phenol
InChI :InChI=1/C9H12O2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,10H,2,7H2,1H3
InChIKey :GNNUWFUVNWRCEO-UHFFFAOYAF
SMILES :CCOCC1=CC=CC=C1O
cas number :20920-83-6
fema number :3485
coe number :11905
jecfa number :714
fl. number :04.045
molar refractivity :44.06 ± 0.3 cm3
parachor :358.3 ± 4.0 cm3
index of refraction :1.525 ± 0.02
surface tension :38.8 ± 3.0 dyne/cm
density :1.060 ± 0.06 g/cm3
polarizability :17.46 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 152.1903800 (IUPAC)
formula :C9 H12 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :smoky
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		sweet smoky vanilla castoreum
properties :
appearence :colorless to yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04700 to 1.05200 @ 25.00 °C.
pounds per gallon - calc. : 8.712 to 8.754
refractive index :1.51700 to 1.52300 @ 20.00 °C.
boiling point : 111.00 to 113.00 °C. @ 20.00 mm Hg
flash point : 192.00  °F.  TCC  ( 88.89 °C. )
logP (o/w) : 1.75
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) :1.50 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
recommendation for alpha-ethoxy-ortho-cresol 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
EPA Chem. Sub. Inventory : Yes
 
 
 
 
2-(ethoxymethyl)phenol
chemidplus :020920836
EPA Substance Registry Services :20920-83-6
references :
 
2-(ethoxymethyl)phenol
fl. number :04.045
jecfa number :714
pubchem :204687
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-(ethoxymethyl) hydroxybenzene
2-(ethoxymethyl) phenol
ortho-(ethoxymethyl) phenol
2-(ethoxymethyl)phenol
ortho-hydroxybenzyl ethyl ether
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :
4-allyl-2,6-dimethoxyphenolFL
 amber oilFL/FR
isoamyl phenyl acetateFL/FR
 benzyl disulfideFL
 betel leaf oilFL/FR
 birch tar oilFR
isobutyl quinolineFR
 cade oilFR
 castoreum absoluteFL/FR
2,6-dimethoxyphenolFL
3,7-dimethyl-6-octenoic acidFL
 ethyl 3-hydroxyhexanoateFL/FR
4-ethyl guaiacolFL/FR
para-ethyl phenolFL
 furfuryl mercaptanFL/FR
1-methyl pyrroleFL
6-methyl quinolineFL/FR
2-methyl-1,3-dithiolaneFL
 narcissus absoluteFR
 pepper tree berry oilFL/FR
 phoebe oil brazilFL/FR
 propyl 4-hydroxybenzoateFL/FR
2-propyl phenolFL
 pyroligneous acidsFL
 pyroligneous acids hickoryFL
 vanillyl ethyl etherFL/FR
dextro-xyloseFL
potential uses :
 castoreum
natural occurrence in :
 not found in nature  



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