2,5-dimethyl furan

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IUPAC name :

2,5-dimethylfuran

InChI :

InChI=1/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

InChIKey :

GSNUFIFRDBKVIE-UHFFFAOYAS

SMILES :

CC1=CC=C(O1)C

(EINECS) number :	210-914-3
cas number :	625-86-5
beilstein number :	106449
fema number :	4106
coe number :	2208
jecfa number :	1488
fl. number :	13.029
molar refractivity :	28.20 ± 0.3 cm3
parachor :	236.5 ± 4.0 cm3
index of refraction :	1.450 ± 0.02
surface tension :	25.9 ± 3.0 dyne/cm
density :	0.917 ± 0.06 g/cm3
polarizability :	11.18 ± 0.5 10-24cm3
xlogp :	1.20
molecular weight :	96.1271200
formula :	C6 H8 O
BioActivity Analysis :	72210

fda reg :

unspecified

h. number :

2932.19.0000

organoleptics :

odor type :

meaty

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description¹ :
at 10.00 % in propylene glycol.

chemical ethereal meaty gravy roast beef bacon

taste description² :

at 30.00 ppm in water.
chemical meaty gravy

substantivity :

< 1 hour(s) at 100.00 %

properties :

appearence :

pale yellow to yellow clear liquid

assay :

99.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.89900 - 0.90800 @ 20.00 °C.

pounds per gallon - calc. :

7.489 to 7.564

refractive index :

1.43800 - 1.44300 @ 20.00 °C.

melting point :

-62.00 °C. @ 760.00 mm Hg

boiling point :

92.00 - 94.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

logp :

2.24

safety :

most important hazard(s) :

Xn - Harmful.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

44.00 °F. TCC ( 6.67 °C. )

recommendation for 2,5-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).

publication number : 22.

4106

average usual ppm

average maximum ppm

baked goods :

5.00000

25.00000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

2.00000

10.00000

cheese :

3.00000

15.00000

chewing gum :

condiments / relishes :

2.00000

10.00000

confectionery froastings :

4.00000

20.00000

egg products :

fats / oils :

2.00000

10.00000

fish products :

1.00000

5.00000

frozen dairy :

3.00000

15.00000

fruit ices :

3.00000

15.00000

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

1.00000

5.00000

milk products :

3.00000

15.00000

nut products :

other grains :

2.00000

10.00000

poultry :

1.00000

5.00000

processed fruits :

2.00000

10.00000

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

2.00000

10.00000

snack foods :

5.00000

25.00000

soft candy :

soups :

2.00000

10.00000

sugar substitutes :

sweet sauces :

safety links :

(EINECS) number :

210-914-3

rtecs :

LU0875000 for 625-86-5

chemidplus :

000625865

epa-srs :

625-86-5

dtp/nci :

6220

other :

references :

pubchem :

155587

NIST Chemistry WebBook :

1401947380

reference :

Luebke, William tgsc, (2006)¹

reference :

Luebke, William tgsc, (2006)²

synonyms :
2,5-	dimethyl furan
2,5-	dimethylfuran
soluble in :
	alcohol
	propylene glycol
	water, 1470 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) used in :
	bacon
	beef
	chocolate cocoa
	coffee
	malt
	meat
natural occurrence in :
	beef
	chicken
	cocoa
	coffee
	egg
	malt
	rice
	rum

information only - not sold by The Good Scents Company.

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