heptanal cyclic propylene acetal 4351-10-4

heptanal cyclic propylene acetal

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IUPAC name :

2-hexyl-4-methyl-1,3-dioxolane

InChI :

InChI=1/C10H20O2/c1-3-4-5-6-7-10-11-8-9(2)12-10/h9-10H,3-8H2,1-2H3

InChIKey :

GFNFPBSXMBRHRU-UHFFFAOYAP

SMILES :

CCCCCCC1OCC(O1)C

(EINECS) number :	224-413-2
cas number :	4351-10-4
beilstein number :	0105323
fema number :	4368
jecfa number :	1739
molar refractivity :	49.61 ± 0.3 cm3
parachor :	451.9 ± 4.0 cm3
index of refraction :	1.424 ± 0.02
surface tension :	29.2 ± 3.0 dyne/cm
density :	0.886 ± 0.06 g/cm3
polarizability :	19.66 ± 0.5 10-24cm3
xlogp :	3.30
molecular weight :	172.2646000
formula :	C10 H20 O2
BioActivity Analysis :	72531

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor type :

green

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

green fatty

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.88900 to 0.89500 @ 25.00 °C.

pounds per gallon - calc. :

7.397 to 7.447

refractive index :

1.42500 to 1.43000 @ 20.00 °C.

boiling point :

217.00 to 218.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

logp :

2.92

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

165.00 °F. TCC ( 73.89 °C. )

recommendation for heptanal cyclic propylene acetal usage levels up to :

2.0000 % 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) :

3.00000

15.00000

beverages(alcoholic) :

4.00000

20.00000

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

fruit ices :

6.00000

30.00000

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

5.00000

25.00000

imitation dairy :

instant coffee / tea :

jams / jellies :

6.00000

30.00000

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

5.00000

soups :

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

2-hexyl-4-methyl-1,3-dioxolane

(EINECS) number :

224-413-2

chemidplus :

004351104

EPA Substance Registry Services :

4351-10-4

NLM Chemical Carcinogenesis Research Information System :

4351-10-4

NLM Developmental and Reproductive Toxicity :

4351-10-4

NLM Env. Mutagen Info. Center :

4351-10-4

NLM GENetic TOXicology :

4351-10-4

dtp/nci :

6566

references :

2-hexyl-4-methyl-1,3-dioxolane

jecfa number :

1739

pubchem :

163179

other :

synonyms :
	aldehyde C-7 cyclic propylene acetal
	heptanal cyclic propylene acetal
	heptanal propylene glycol acetal
	heptanal propyleneglycol acetal
2-	hexyl-4-methyl-1,3-dioxolane
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
2,4-	decadien-1-al
3-	decen-2-one
	dihydroxyacetophenone
	dodecanal
	dodecanal dimethyl acetal
	epoxy-2-decenal
	ethyl hexanoate
	fresh carbaldehyde
	furfuryl hexanoate
	guaiyl acetate
(E,E)-2,4-	heptadien-1-al
3-	heptanone
(Z)-4-	hepten-1-al
2-	hepten-1-al
2-	heptyl furan
	hexanal
	hexanal butane-2,3-diol acetal
	hexanal octane-1,3-diol acetal
	hexyl (E)-2-hexenoate
alpha-	hexyl cinnamaldehyde dimethyl acetal
	methyl 2-hexenoate
	methyl 2-methyl butyrate
(E,Z)-2,6-	nonadien-1-al
2,4-	nonadien-1-al
(E,Z)-3,6-	nonadien-1-ol
2,4-	nonadien-1-ol
(E)-2-	nonen-1-al
(E,E)-2,4-	octadien-1-al
(E)-2-	octen-1-al
2-	octen-1-al
(E)-2-	octen-1-yl acetate
	octen-1-yl cyclopentanone
	undecanal
(odor and/or flavor) used in :
	green
natural occurrence in :
	not found in nature

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