4-octen-3-one 14129-48-7

4-octen-3-one

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

oct-4-en-3-one

InChI :

InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3

InChIKey :

JPTOCTSNXXKSSN-UHFFFAOYAL

SMILES :

CCCC=CC(=O)CC

cas number :	14129-48-7
fema number :	4328
jecfa number :	1843
molar refractivity :	39.19 ± 0.3 cm3
parachor :	342.7 ± 4.0 cm3
index of refraction :	1.431 ± 0.02
surface tension :	26.3 ± 3.0 dyne/cm
density :	0.833 ± 0.06 g/cm3
polarizability :	15.53 ± 0.5 10-24cm3
xlogp :	2.20
molecular weight :	126.1961600
formula :	C8 H14 O

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor description :

coconut fruity

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.84000 to 0.84400 @ 25.00 °C.

pounds per gallon - calc. :

6.990 to 7.023

refractive index :

1.44200 to 1.44800 @ 20.00 °C.

boiling point :

180.00 to 181.00 °C. @ 760.00 mm Hg

boiling point :

77.00 to 79.00 °C. @ 20.00 mm Hg

logp :

2.16

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

152.00 °F. TCC ( 66.67 °C. )

recommendation for 4-octen-3-one usage levels up to :

0.6000 % in the fragrance concentrate.

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 : 23.

average usual ppm

average maximum ppm

baked goods :

1.00000

5.00000

beverages(nonalcoholic) :

1.00000

5.00000

beverages(alcoholic) :

2.00000

10.00000

breakfast cereal :

1.00000

5.00000

cheese :

chewing gum :

2.00000

20.00000

condiments / relishes :

1.00000

5.00000

confectionery froastings :

1.00000

5.00000

egg products :

fats / oils :

fish products :

frozen dairy :

1.00000

5.00000

fruit ices :

1.00000

5.00000

gelatins / puddings :

1.00000

5.00000

granulated sugar :

gravies :

hard candy :

2.00000

10.00000

imitation dairy :

instant coffee / tea :

2.00000

20.00000

jams / jellies :

1.00000

5.00000

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

1.00000

5.00000

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

100.00000

1000.00000

snack foods :

1.00000

5.00000

soft candy :

1.00000

5.00000

soups :

sugar substitutes :

sweet sauces :

1.00000

5.00000

safety references :

EPI System :

view

oct-4-en-3-one

chemidplus :

014129487

EPA Substance Registry Services :

14129-48-7

NLM Chemical Carcinogenesis Research Information System :

14129-48-7

NLM Developmental and Reproductive Toxicity :

14129-48-7

NLM Env. Mutagen Info. Center :

14129-48-7

NLM GENetic TOXicology :

14129-48-7

references :

oct-4-en-3-one

jecfa number :

1843

pubchem :

661120

other :

synonyms :
	oct-4-en-3-one
4-	octen-3-one
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	melissa oil slovak republic @ 0.18%

information only - not sold by The Good Scents Company.

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