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

(EINECS) number :	251-631-5
cas number :	33673-65-3
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

export tariff code :

unspecified

fda reg :

unspecified

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

logp :

7.52

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

121.00 °F. TCC ( 49.44 °C. )

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).

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

1,1-dihexoxyhexane

(EINECS) number :

251-631-5

chemidplus :

033673653

EPA Substance Registry Services :

33673-65-3

NLM Chemical Carcinogenesis Research Information System :

33673-65-3

NLM Developmental and Reproductive Toxicity :

33673-65-3

NLM Env. Mutagen Info. Center :

33673-65-3

NLM GENetic TOXicology :

33673-65-3

references :

1,1-dihexoxyhexane

jecfa number :

1738

pubchem :

695213

other :

synonyms :
	aldehyde C-6 dihexyl acetal
	hexanal dihexyl acetal
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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