2,4,6-nonatrien-1-al 56269-22-8

2,4,6-nonatrien-1-al

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IUPAC name :

nona-2,4,6-trienal

InChI :

InChI=1/C9H12O/c1-2-3-4-5-6-7-8-9-10/h3-9H,2H2,1H3

InChIKey :

XHDSWFFUGPJMMN-UHFFFAOYAJ

SMILES :

CCC=CC=CC=CC=O

cas number :	56269-22-8
fema number :	4187
jecfa number :	1785
fl. number :	05.173
molar refractivity :	44.10 ± 0.3 cm3
parachor :	360.7 ± 4.0 cm3
index of refraction :	1.479 ± 0.02
surface tension :	29.1 ± 3.0 dyne/cm
density :	0.877 ± 0.06 g/cm3
polarizability :	17.48 ± 0.5 10-24cm3
xlogp :	2.70
molecular weight :	136.1909800
formula :	C9 H12 O

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor description :

green cucumber

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.86700 to 0.87300 @ 25.00 °C.

pounds per gallon - calc. :

7.214 to 7.264

refractive index :

1.55000 to 1.55600 @ 20.00 °C.

boiling point :

193.00 to 194.00 °C. @ 760.00 mm Hg

logp :

2.13

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

237.00 °F. TCC ( 113.89 °C. )

recommendation for 2,4,6-nonatrien-1-al usage levels up to :

0.5000 % 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 : 22.

average usual ppm

average maximum ppm

baked goods :

5.00000

25.00000

beverages(nonalcoholic) :

2.00000

10.00000

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 :

3.00000

15.00000

granulated sugar :

gravies :

5.00000

25.00000

hard candy :

imitation dairy :

3.00000

15.00000

instant coffee / tea :

jams / jellies :

3.00000

15.00000

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 :

3.00000

15.00000

soft candy :

soups :

2.00000

10.00000

sugar substitutes :

sweet sauces :

2.00000

10.00000

safety references :

EPI System :

view

nona-2,4,6-trienal

chemidplus :

056269228

EPA Substance Registry Services :

56269-22-8

NLM Chemical Carcinogenesis Research Information System :

56269-22-8

NLM Developmental and Reproductive Toxicity :

56269-22-8

NLM Env. Mutagen Info. Center :

56269-22-8

NLM GENetic TOXicology :

56269-22-8

references :

nona-2,4,6-trienal

jecfa number :

1785

fl. number :

05.173

pubchem :

668893

other :

synonyms :
	nona-2,4,6-trienal
2,4,6-	nonatrien-1-al
2,4,6-	nonatrienal
soluble in :
	alcohol
	water, very slightly
insoluble in :
	water
(odor and/or flavor) blends with :
(E,E)-2,6-	nonadien-1-al
2,4-	nonadien-1-al
(E,Z)-2,6-	nonadien-1-al diethyl acetal
(E,Z)-2,6-	nonadien-1-ol
(E,Z)-3,6-	nonadien-1-ol
(Z,Z)-3,6-	nonadien-1-ol
2,6-	nonadien-1-ol
(E)-2-	nonen-1-al
(Z)-6-	nonen-1-al
(E)-2-	octen-1-al
(odor and/or flavor) used in :
	cucumber
	grass
	green
	violet
natural occurrence in :
	found in nature

information only - not sold by The Good Scents Company.

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