2-methyl furan
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IUPAC name :2-methylfuran
InChI :InChI=1/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey :VQKFNUFAXTZWDK-UHFFFAOYAB
SMILES :CC1=CC=CO1
cas number :534-22-5
(EINECS) number :208-594-5
beilstein number :0103733
fema number :4179
coe number :2209
jecfa number :1487
fl. number :13.030
molar refractivity :23.37 ± 0.3 cm3
parachor :198.8 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :25.5 ± 3.0 dyne/cm
density :0.927 ± 0.06 g/cm3
polarizability :9.26 ± 0.5 10-24cm3
XlogP : 0.90
molecular weight : 82.1005400 (IUPAC)
formula :C5 H6 O
BioActivity Analysis :17388918
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Frutarom :2-METHYLFURAN
≥98.00%, NI, Kosher
Odor:  Almond, Caramel, Chocolate, Etheral, Liqourice, Nutty
Suggested Uses: Bakery, Chicken, Cocoa, Coffee, Nut, Savoury, Tea, Tomato
Penta :2-methyl furan
SAFC Global® :2-Methyl furan
≥98%
organoleptics :
odor type :chocolate
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in propylene glycol.  		ethereal acetone chocolate
Luebke, William tgsc, (2007)
substantivity :< 1 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow green clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90800 to 0.91700 @ 25.00 °C.
pounds per gallon - calc. : 7.555 to 7.630
refractive index :1.43100 to 1.43700 @ 20.00 °C.
boiling point : 63.00 to 66.00 °C. @ 760.00 mm Hg
vapor pressure :139.00000 mm/Hg @ 20.00 °C.
vapor density :2.8 ( Air = 1 )
flash point : -8.00  °F.  TCC  ( -22.22 °C. )
logP (o/w) : 1.85
safety :
most important hazard(s) :T - Toxic.
  R 11 - Highly flammable.
R 23 - Toxic by inhalation.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Inhalation-Rat  500.00  ppm/4H
  
 
safety in use :
Category :flavoring agents
 
recommendation for 2-methyl furan fragrance 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 : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 5.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : --
granulated sugar : --
gravies : 5.0000025.00000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : 7.0000035.00000
meat products : 20.00000100.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : --
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 10.0000050.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2301
 
WGK Germany :1
 
 
 
 
2-methylfuran
(EINECS) number :208-594-5
RTECS :LU2625000 for cas# 534-22-5
chemidplus :000534225
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :534-22-5
dtp/nci :3707
references :
 
2-methylfuran
fl. number :13.030
jecfa number :1487
NIST Chemistry WebBook :2587351339
pubchem :154101
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
alpha-methyl furan
2-methylfuran
 silvan
 sylvan
soluble in :
 alcohol
 water, 3000 mg/L @ 20C
insoluble in :
 water
potential blenders :    note
2-acetyl pyrazineFL/FR
alpha-amyl cinnamyl acetateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
 amyl salicylateFL/FR
 butyl phenyl acetateFL/FR
isobutyl phenyl acetateFL/FR
 butyraldehydeFL
 chocolate notes 
 chocolate pyrazine AFL/FR
 cocoa oleoresinFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
 ethyl vanillin isobutyrateFL/FR
 methyl ethoxypyrazineFL
2-methyl pyrazineFL/FR
 phenyl acetic acidFL/FR
 prenyl benzoateFL/FR
2,3,5,6-tetramethyl pyrazineFL
 tricyclodecenyl isobutyrateFR
2,4,5-trimethyl thiazoleFL/FR
 vanillinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 bread
 butter
 caramel
 chicken
 chocolate cocoa
 coffee
 currant
 mint
 tea
 tomato
natural occurrence in :    note
 beef cooked beef  
 bread  
 butter  
 chicken  
 cocoa S
 coffee  
 currant  
 mint  
 tea  
 tomato  

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