O-ethyl S-(2-furyl methyl) thiocarbonate
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IUPAC name :O-ethyl S-(furan-2-ylmethyl) carbonothioate
InChI :InChI=1/C8H10O3S/c1-2-10-8(9)12-6-7-4-3-5-11-7/h3-5H,2,6H2,1H3
InChIKey :RPDATXKSJBDCAP-UHFFFAOYAC
SMILES :O=C(SCc1ccco1)OCC
cas number :376595-42-5
fema number :4043
jecfa number :1526
fl. number :13.191
molar refractivity :47.13 ± 0.3 cm3
parachor :392.8 ± 4.0 cm3
index of refraction :1.518 ± 0.02
surface tension :40.7 ± 3.0 dyne/cm
density :1.197 ± 0.06 g/cm3
polarizability :18.68 ± 0.5 10-24cm3
molecular weight : 186.2282000
formula :C8 H10 O3 S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :O-ethyl S-(2-furylmethyl) thiocarbonate

organoleptics :
odor type :spicy
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
spicy floral

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.16700 to 1.17300 @ 25.00 °C.
pounds per gallon - calc. : 9.711 to 9.761
refractive index :1.50400 to 1.51000 @ 20.00 °C.
boiling point : 130.00 to 135.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point :not determined

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

safety in use :
 
recommendation for O-ethyl S-(2-furyl methyl) thiocarbonate usage levels up to :
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 21
 average usual ppmaverage maximum ppm
baked goods : 0.030000.06000
beverages(nonalcoholic) : 0.030000.06000
beverages(alcoholic) : 0.030000.06000
breakfast cereal : 0.030000.06000
cheese : 0.030000.06000
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 0.030000.06000
fruit ices : --
gelatins / puddings : 0.030000.06000
granulated sugar : --
gravies : --
hard candy : 0.030000.06000
imitation dairy : 0.030000.06000
instant coffee / tea : 0.030000.06000
jams / jellies : --
meat products : --
milk products : 0.030000.06000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 0.030000.06000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 
 O-ethyl S-(furan-2-ylmethyl) carbonothioate
chemidplus :376595-42-5
EPA Substance Registry Services :376595-42-5

references :
 O-ethyl S-(furan-2-ylmethyl) carbonothioate
fl. number :13.191
jecfa number :1526
pubchem :376595-42-5

other :
synonyms :
 carbonothioic acid O-ethyl S-(2-furanyl methyl) ester
 ethoxycarbonyl furfuryl thiol
O-ethyl S-(2-furanyl methyl) thiocarbonate
O-ethyl S-(furan-2-ylmethyl) carbonothioate

soluble in :
 alcohol
 water, very slightly

(odor and/or flavor) blends with :
 amyl isoeugenol
homoanisaldehyde
 cananga leaf oil
 cardamom absolute
 cinnamyl acetate
 cinnamyl isobutyrate
 clary sage absolute
isocyclogeraniol
 elder flowers absolute
isoeugenyl acetate
isoeugenyl ethyl acetal
 heliotropyl diethyl acetal
(E,E)-2,4-hexadien-1-al
(Z)-jasmone
(E)-para-methoxycinnamaldehyde
4-methyl biphenyl
(±)-3-((2-methyl-3-furyl)thio)-2-butanone
 rhubarb oxirane
 rose oil
 tuberose absolute
 tuberose absolute concrete
 ylang ylang absolute

(odor and/or flavor) used in :
 floral
 spice

natural occurrence in :
not found in nature



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