2-acetyl-3,5-dimethyl furan
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IUPAC name :1-(3,5-dimethylfuran-2-yl)ethanone
InChI :InChI=1/C8H10O2/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
InChIKey :SQWQZVDNBPEROH-UHFFFAOYAN
SMILES :CC1=CC(=C(O1)C(=O)C)C
cas number :22940-86-9
fema number :4071
jecfa number :1505
fl. number :13.101
molar refractivity :38.23 ± 0.3 cm3
parachor :321.7 ± 4.0 cm3
index of refraction :1.472 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :1.013 ± 0.06 g/cm3
polarizability :15.15 ± 0.5 10-24cm3
XlogP : 0.90
XlogP3-AA : 1.80
molecular weight : 138.1638000 (IUPAC)
formula :C8 H10 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :2-acetyl-3,5-dimethylfuran
Penta :2-acetyl-3,5-dimethyl furan

organoleptics :
odor type :balsamic
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet balsam

properties :
appearence :colorless clear liquid to solid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04100 to 1.04700 @ 25.00 °C.
pounds per gallon - calc. : 8.662 to 8.712
refractive index :1.49400 to 1.50000 @ 20.00 °C.
melting point : 17.00 to 18.00 °C. @ 760.00 mm Hg
boiling point : 195.00 to 198.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 193.00  °F.  TCC  ( 89.44 °C. )
logP (o/w) : 1.44

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

safety in use :
 
recommendation for 2-acetyl-3,5-dimethyl furan 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 : 3.00000-
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
 
 
 
 1-(3,5-dimethylfuran-2-yl)ethanone
chemidplus :22940-86-9
EPA Substance Registry Services :22940-86-9

references :
 1-(3,5-dimethylfuran-2-yl)ethanone
fl. number :13.101
jecfa number :1505
pubchem :10399649

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-acetyl-3,5-dimethylfuran
1-(3,5-dimethyl-2-furanyl) ethanone
1-(3,5-dimethyl-2-furanyl)-ethanone
3,5-dimethyl-2-furyl methyl ketone
1-(3,5-dimethylfuran-2-yl)ethanone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetanisole
2-acetyl furan
 allyl cinnamate
 amyl benzoate
 amyl cinnamate
alpha-amyl cinnamyl acetate
 amyl isoeugenol
 amyl phenyl acetate
isoamyl phenyl acetate
isoamyl pyruvate
 amyris wood oil
para-anisaldehyde
para-anisyl acetate
para-anisyl methyl ketone
para-anisyl phenyl acetate
 balsam ketone
 bay leaf oil terpeneless
 beeswax absolute
 benzoin absolute siam
 benzoin absolute sumatra
 benzoin resinoid
 benzoin resinoid siam
 benzoin resinoid sumatra
 benzophenone
1-benzoyl acetone
 benzyl acetone
 benzyl alcohol
 benzyl benzoate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl propionate
 benzyl salicylate
 benzylidene acetone
 bisabolene
alpha-bisabolene
beta-bisabolene
isoborneol
isobornyl acetate
laevo-bornyl acetate
 bornyl formate
 butyl benzoate
isobutyl benzoate
 butyl cinnamate
isobutyl cinnamate
2-butyryl furan
T-cadinol
 cananga oil
 cardamom liquid resin
 cardamom seed oil
 cedarwood oil virginia
 chamomile oil morocco
 cinnamic acid
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl anthranilate
 cinnamyl benzoate
 cinnamyl butyrate
 cinnamyl cinnamate
 cinnamyl formate
 cinnamyl phenyl acetate
 cinnamyl propionate
 cistus absolute
 citronellyl acetone
 clover nitrile
 conifer acetate
 copaiba balsam oil
 cyclohexyl crotonate
 cyclohexyl propanol
 cyclohexyl salicylate
 dihydrogeranyl linalool
 ethyl 3-(2-furyl) propanoate
 ethyl cinnamate
2-ethyl hexyl salicylate
 ethyl palmitate
 ethyl phenyl acetate
 ethyl salicylate
isoeugenyl acetate
 eugenyl benzoate
 fenugreek absolute
 fir balsam absolute
 fir needle oil canada
 fir needle oil terpeneless
 floral undecenone
 frankincense absolute
 furfural acetone
 galbanum absolute
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
(E)-geranyl linalool
 guaiacwood oil 20% in gurjun balsam oil
alpha-guaiene
 guaiyl butyrate
 gurjun balsam oil
alpha-gurjunene
 hawthorn acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl cinnamate
(Z)-3-hexen-1-yl salicylate
 hexyl benzoate
 hexyl cinnamate
 hyacinth ether
4'-hydroxyacetophenone
4-hydroxybenzaldehyde
beta-ionol
pseudoionone
 juniper berry absolute
 juniper berry oil
 juniper berry oil CO2 extract
 juniper lactone
delta-juniper lactone
 juniper needle oil
 juniper berry oleoresin
 labdanum oil
 labdanum resinoid
 linalyl cinnamate
 lovage flower oil
 lovage seed oil
 mace oil CO2 extract
 mastic absolute
 mastic oil
 mastic resinoid
 mayur pankh fruit oil himalaya
 mesitene lactone
7-methoxycoumarin
 methyl (E)-cinnamate
alpha-methyl cinnamaldehyde
 methyl cinnamate
alpha-methyl cinnamic alcohol
 methyl hydrocinnamate
 muhuhu wood oil
 myrrh absolute
 myrrh oil
 myrrh resinoid
 myrtenol
 narcissus acetate
 nonyl benzoate
 nutmeg absolute
 nutmeg extract CO2 west indian
 octyl benzoate
 octyl cinnamate
 opoponax oil
 opoponax resinoid
 patchouli oil
 peru balsam oil
 peru balsam resinoid
 phenethyl benzoate
 phenethyl cinnamate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
 phenoxyethanol
 phenyl acetaldehyde digeranyl acetal
 phenyl glycol diacetate
3-phenyl propionaldehyde
3-phenyl propyl acetate
2-phenyl propyl alcohol
3-phenyl propyl alcohol
3-phenyl propyl cinnamate
3-phenyl propyl isobutyrate
 phenyl propyl phenyl acetate
3-phenyl propyl propionate
 phenyl salicylate
1-phenyl-1-propanol
4-phenyl-3-buten-2-ol
(Z,E)-phytol
 pine needle absolute
 pine needle oil dwarf
 pinocarveol
 prenyl acetate
 prenyl benzoate
 propyl 2-furan acrylate
 propyl benzoate
isopropyl cinnamate
(E)-sabinene hydrate
(Z)-sabinene hydrate
 sandal cyclopropane
 sandalwood oil
 sandalwood oil west australia
 santall
 santalyl butyrate
 santolina oil
 satureja khuzistanica jamzad oil iran
 sclareol
 spicy acetoacetate
 styrax oil
 styrax resinoid
 terpinyl butyrate
 terpinyl cinnamate
 tetrahydrofurfuryl cinnamate
 tolu balsam absolute
 tolu balsam oil
 tolu balsam resinoid
 tonka undecanone
 tuberose absolute
 tuberose absolute concrete
 valerian absolute
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 valerophenone
 vanilla absolute
 vanillylidene acetone
 vetiver oil
 vetiver resinoid
 vetiverol
 woody acetate
 woody amylene
 woody octene

(odor and/or flavor) used in :
 balsam

natural occurrence in :
not found in nature



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