bovolide 774-64-1

bovolide

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IUPAC name :

(5E)-3,4-dimethyl-5-pentylidenefuran-2-one

InChI :

InChI=1/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3/b10-7+

InChIKey :

MTQPZHNZYWAXEH-JXMROGBWBU

SMILES :

CCCC\C=C\1/C(=C(C(=O)O1)C)C

cas number :	774-64-1
beilstein number :	1343514
fema number :	4050
coe number :	11873
fl. number :	10.042
molar refractivity :	53.97 ± 0.3 cm3
parachor :	430.5 ± 6.0 cm3
index of refraction :	1.539 ± 0.02
surface tension :	39.0 ± 3.0 dyne/cm
density :	1.046 ± 0.06 g/cm3
polarizability :	21.39 ± 0.5 10-24cm3
XlogP :	2.90
XlogP3-AA :	2.90
molecular weight :	180.2435400 (IUPAC)
formula :	C11 H16 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

3,4-dimethyl-5-pentylidene-5H-furan-2-one

organoleptics :

properties :

assay :

93.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.98000 to 1.00000 @ 25.00 °C.

pounds per gallon - calc. :

8.155 to 8.321

refractive index :

1.56000 to 1.57500 @ 20.00 °C.

boiling point :

287.00 to 288.00 °C. @ 760.00 mm Hg

flash point :

244.00 °F. TCC ( 117.78 °C. )

logP (o/w) :

3.11

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) :

0.12 (μg/capita/day)

Structure Class :

III

recommendation for bovolide 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 ppm

average maximum ppm

baked goods :

3.00000

6.00000

beverages(nonalcoholic) :

1.00000

2.00000

beverages(alcoholic) :

1.00000

2.00000

breakfast cereal :

cheese :

chewing gum :

5.00000

10.00000

condiments / relishes :

1.00000

2.00000

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

2.00000

4.00000

fruit ices :

1.00000

2.00000

gelatins / puddings :

granulated sugar :

gravies :

1.00000

2.00000

hard candy :

2.00000

4.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

1.00000

2.00000

milk products :

1.00000

2.00000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

1.00000

2.00000

soft candy :

2.00000

4.00000

soups :

1.00000

2.00000

sugar substitutes :

sweet sauces :

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

(5E)-3,4-dimethyl-5-pentylidenefuran-2-one

chemidplus :

000774641

EPA Substance Registry Services :

774-64-1

references :

(5E)-3,4-dimethyl-5-pentylidenefuran-2-one

fl. number :

10.042

NIST Chemistry WebBook :

774641

pubchem :

156405

other :

VCF-Online:

VCF Volatile Compounds in Food

FDA Everything Added to Food in the United States (EAFUS)

View

synonyms :
3,4-	dimethyl-5-pentylidene furan-2(5H)-one
3,4-	dimethyl-5-pentylidene-2(5H)-furanone
(5E)-3,4-	dimethyl-5-pentylidenefuran-2-one
4-	hydroxy-2,3-dimethyl-2,4-nonadienoic acid gamma lactone
5-	pentylidene-3,4-dimethyl-2,5-dihydrofuran-2-one
soluble in :
	alcohol
	water
(odor and/or flavor) blends with :
	acetoin acetate
	acetyl isobutyryl
	acetyl propionyl
	butyl octanoate
	butyroin
	cinnamyl benzoate
	coffee furanone
gamma-	decalactone
6-	decenoic acid
	diacetyl
	diacetyl trimer
alpha,alpha-	dimethyl anisyl acetone
delta-	dodecalactone
	ethyl lactate
2-	ethyl pyrazine
	ethyl undecanoate
2,3-	heptane dione
3,4-	hexane dione
(Z)-3-	hexen-1-yl butyrate
	jasmin pyranone
	linalyl butyrate
3-	methyl butyl 2-furyl butyrate
3-(	methyl thio) hexanal
gamma-	nonalactone
(E)-2-	pentenoic acid
	prenyl isobutyrate
	sodium 4-methyl-2-oxovalerate
3-	tetrahydrothiophenone
(E,E)-2,4-	undecadien-1-al
(odor and/or flavor) used in :
	butter
natural occurrence in :
	beef
data page	champaca concrete @ 0.01%
data page	nepeta betonicifolia c.a. meyer oil turkey @ 0.30%
	peppermint oil
	soybean
	tea

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