hexanal dihexyl acetal 33673-65-3

hexanal dihexyl acetal

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IUPAC name :

1,1-dihexoxyhexane

InChI :

InChI=1/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3

InChIKey :

JAMIQGJXDPTFJL-UHFFFAOYAG

SMILES :

CCCCCCOC(CCCCC)OCCCCCC

cas number :	33673-65-3
(EINECS) number :	251-631-5
fema number :	4370
jecfa number :	1738
molar refractivity :	88.88 ± 0.3 cm3
parachor :	338.7 ± 4.0 cm3
index of refraction :	1.437 ± 0.02
surface tension :	28.8 ± 3.0 dyne/cm
density :	0.845 ± 0.06 g/cm3
polarizability :	35.23 ± 0.5 10-24cm3
XlogP :	7.50
molecular weight :	286.4931200
formula :	C18 H38 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Inoue :

HEXANAL DIHEXYL ACETAL

organoleptics :

odor type :

green

odor strength :

medium

odor description :
at 100.00 %.

mild green grassy

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.83800 to 0.84400 @ 25.00 °C.

pounds per gallon - calc. :

6.973 to 7.023

refractive index :

1.43100 to 1.43600 @ 20.00 °C.

boiling point :

264.00 to 265.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

vapor pressure :

0.01500 mm/Hg @ 25.00 °C.

flash point :

121.00 °F. TCC ( 49.44 °C. )

logP (o/w) :

7.52

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for hexanal dihexyl acetal usage levels up to :

6.0000 % 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).

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 : 23

average usual ppm

average maximum ppm

baked goods :

beverages(nonalcoholic) :

1.00000

10.00000

beverages(alcoholic) :

breakfast cereal :

cheese :

chewing gum :

5.00000

30.00000

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

0.50000

3.00000

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

2.00000

10.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

soups :

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

1,1-dihexoxyhexane

(EINECS) number :

251-631-5

chemidplus :

033673653

EPA Substance Registry Services :

33673-65-3

references :

1,1-dihexoxyhexane

jecfa number :

1738

pubchem :

695213

other :

synonyms :
	aldehyde C-6 dihexyl acetal
1,1-	dihexoxyhexane
1,1-bis(	hexyl oxy) hexane
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	ascorbic acid
	bark carbaldehyde
	butyl heptanoate
sec-	butyl-3-methyl but-2-ene thioate
	dibutyl sulfide
3,7-	dimethyl-6-octenoic acid
2-	ethyl pyridine
3-(2-	furyl) acrolein
	grass notes
(Z)-3-	hepten-1-ol
3-	hepten-2-one
2-	heptenoic acid
	heptyl heptanoate
	hexanal dihexyl acetal
(Z)-3-	hexen-1-al
(Z)-3-	hexenoic acid
	lilac acetaldehyde
	litsea cubeba oil
3-(	methyl thio) hexanal
2-	methyl-2-penten-1-al
	mimosa absolute
(E,E)-3,5-	octadien-2-one
	propylene acetal
3,5,5-	trimethyl hexanol
(odor and/or flavor) used in :
	grass
	green
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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