decanal propylene glycol acetal 5421-12-5

decanal propylene glycol acetal

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IUPAC name :

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

InChI :

InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-13H,3-11H2,1-2H3

InChIKey :

SJLDHKPBFAHHSI-UHFFFAOYAK

SMILES :

CCCCCCCCCC1OCC(O1)C

cas number :	5421-12-5
(EINECS) number :	226-536-7
fema number :	4364
jecfa number :	1744
molar refractivity :	63.51 ± 0.3 cm3
parachor :	571.2 ± 4.0 cm3
index of refraction :	1.433 ± 0.02
surface tension :	30.0 ± 3.0 dyne/cm
density :	0.878 ± 0.06 g/cm3
polarizability :	25.17 ± 0.5 10-24cm3
XlogP :	5.00
molecular weight :	214.3443400
formula :	C13 H26 O2
BioActivity Analysis :	72608
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Inoue :

DECANAL PG ACETAL

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 floral

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.88100 to 0.88700 @ 25.00 °C.

pounds per gallon - calc. :

7.331 to 7.381

refractive index :

1.43300 to 1.43900 @ 20.00 °C.

boiling point :

270.00 to 271.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

vapor pressure :

0.02200 mm/Hg @ 25.00 °C.

flash point :

214.00 °F. TCC ( 101.11 °C. )

logP (o/w) :

4.51

safety :

most important hazard(s) :

Xi - Irritant

R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for decanal propylene glycol acetal usage levels up to :

3.0000 % 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 :

10.00000

50.00000

beverages(nonalcoholic) :

1.00000

10.00000

beverages(alcoholic) :

breakfast cereal :

1.00000

30.00000

cheese :

1.00000

30.00000

chewing gum :

10.00000

50.00000

condiments / relishes :

0.20000

40.00000

confectionery froastings :

0.20000

40.00000

egg products :

1.00000

30.00000

fats / oils :

1.00000

100.00000

fish products :

0.20000

40.00000

frozen dairy :

0.20000

40.00000

fruit ices :

2.00000

40.00000

gelatins / puddings :

0.20000

40.00000

granulated sugar :

gravies :

1.00000

30.00000

hard candy :

1.00000

100.00000

imitation dairy :

1.00000

30.00000

instant coffee / tea :

jams / jellies :

meat products :

0.20000

40.00000

milk products :

2.00000

30.00000

nut products :

1.00000

30.00000

other grains :

1.00000

30.00000

poultry :

1.00000

30.00000

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

1.00000

100.00000

snack foods :

1.00000

30.00000

soft candy :

1.00000

100.00000

soups :

0.20000

40.00000

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

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

(EINECS) number :

226-536-7

chemidplus :

005421125

EPA Substance Registry Services :

5421-12-5

dtp/nci :

6643

references :

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

jecfa number :

1744

pubchem :

672549

other :

synonyms :
	aldehyde C-10 propylene glycol acetal
	decanal propyleneglycol acetal
4-	methyl-2-nonyl-1,3-dioxolane
2-	nonyl-4-methyl-1,3-dioxolane
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
iso	amyl 3-(2-furan) propionate
	amyl benzoate
	anisyl propanal / methyl anthranilate schiff's base
	benzyl methyl ether
iso	butyl benzyl carbinol
alpha-	butyl cinnamaldehyde
	chrysanthemum oxide
	cinnamyl formate
	citral dimethyl acetal
	citronellyl acetate
	citronellyl propionate
	clary sage absolute
	cumin carbinol
	cuminyl acetaldehyde
3-	decanone
(E)-4-	decen-1-al
2-	decen-1-al
	dimethyl benzyl carbinol
	dimethyl benzyl carbinyl butyrate
	dimethyl succinate
6,8-	dimethyl-2-nonanol
	earthy acetal
	ethyl 2-benzyl butyrate
	ethyl methyl-para-tolyl glycidate
2-	ethyl octine carbonate
	farnesyl acetate
	floral butanal
	gardenia absolute
	gardenia concrete
	geranium oil
	geranyl acetone
	geranyl isobutyrate
	grapefruit pentanol
(Z)-3-	hexen-1-yl salicylate
alpha-	hexyl cinnamaldehyde
	hyacinth absolute
	hydroxycitronellal diethyl acetal
	ivy carbaldehyde / methyl anthranilate schiff's base
	ivy dioxolane
	jasmin cyclopentanol
	jonquil absolute
	marine hexane
	methyl 2-undecynoate
	methyl cyclocitrone
para-	methyl hydratropaldehyde
	methyl octine carbonate
4-	methyl-4-phenyl pentanone
	mimosa absolute
	muguet undecadienal
	neroli oil
	nerolidol
(E)-	nerolidol
	ocean propanal / methyl anthranilate schiff's base
	octanal dimethyl acetal
	octyl oxyacetaldehyde
	orange leaf absolute
	papaya isobutyrate
	peach pivalate
	phenyl acetaldehyde
	phenyl acetaldehyde diisobutyl acetal
2-	phenyl propionaldehyde ethylene glycol acetal
	rose butanoate
	styralyl formate
	sweet pea absolute
	terpinyl isobutyrate
	tricyclodecenyl acetate
iso	valeraldehyde propylene glycol acetal
(odor and/or flavor) used in :
	floral
	green
natural occurrence in :
	not found in nature

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