isovaleraldehyde propylene glycol acetal 18433-93-7

isovaleraldehyde propylene glycol acetal

Suppliers organoleptics properties safety references FEMA Index Home Page

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IUPAC name :

4-methyl-2-(2-methylpropyl)-1,3-dioxolane

InChI :

InChI=1/C8H16O2/c1-6(2)4-8-9-5-7(3)10-8/h6-8H,4-5H2,1-3H3

InChIKey :

PDVLTWPJDBXATJ-UHFFFAOYAB

SMILES :

CC1COC(O1)CC(C)C

cas number :	18433-93-7
(EINECS) number :	242-309-5
fema number :	4286
jecfa number :	1714
fl. number :	06.135
molar refractivity :	40.30 ± 0.3 cm3
parachor :	369.7 ± 4.0 cm3
index of refraction :	1.412 ± 0.02
surface tension :	27.3 ± 3.0 dyne/cm
density :	0.891 ± 0.06 g/cm3
polarizability :	15.97 ± 0.5 10-24cm3
XlogP :	2.10
molecular weight :	144.2114400
formula :	C8 H16 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Apple :

Isovaleraldehyde PG Acetal

Inoue :

ISOVALER ALDEHYDE PG ACETAL

organoleptics :

odor type :

caramellic

odor strength :

medium

odor description :¹
at 100.00 %.

sweet ethereal fruity tropical rummy sour ripe dairy buttery

substantivity :

3 hour(s) at 100.00 %

properties :

appearence :

colorless clear liquid

assay :

96.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

specific gravity :

0.89500 to 0.90200 @ 25.00 °C.

pounds per gallon - calc. :

7.447 to 7.506

refractive index :

1.41200 to 1.42000 @ 20.00 °C.

boiling point :

150.00 to 153.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

vapor pressure :

3.53000 mm/Hg @ 25.00 °C.

flash point :

105.00 °F. TCC ( 40.56 °C. )

logP (o/w) :

1.67

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

1.20 (μg/capita/day)

Threshold of concern :

540 (μg/person/day)

recommendation for isovaleraldehyde propylene glycol acetal usage levels up to :

4.0000 % 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 :

15.00000

50.00000

beverages(nonalcoholic) :

5.00000

50.00000

beverages(alcoholic) :

5.00000

10.00000

breakfast cereal :

1.00000

50.00000

cheese :

1.00000

50.00000

chewing gum :

1.00000

100.00000

condiments / relishes :

10.00000

50.00000

confectionery froastings :

1.00000

50.00000

egg products :

1.00000

50.00000

fats / oils :

1.00000

100.00000

fish products :

frozen dairy :

5.00000

20.00000

fruit ices :

0.50000

20.00000

gelatins / puddings :

5.00000

20.00000

granulated sugar :

gravies :

1.00000

50.00000

hard candy :

20.00000

100.00000

imitation dairy :

1.00000

100.00000

instant coffee / tea :

2.00000

10.00000

jams / jellies :

0.10000

20.00000

meat products :

1.00000

100.00000

milk products :

5.00000

50.00000

nut products :

1.00000

100.00000

other grains :

1.00000

50.00000

poultry :

1.00000

50.00000

processed fruits :

0.10000

20.00000

processed vegetables :

0.10000

20.00000

reconstituted vegetables :

seasonings / flavors :

1.00000

100.00000

snack foods :

1.00000

100.00000

soft candy :

10.00000

100.00000

soups :

1.00000

50.00000

sugar substitutes :

sweet sauces :

0.80000

20.00000

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 1993

WGK Germany :

4-methyl-2-(2-methylpropyl)-1,3-dioxolane

(EINECS) number :

242-309-5

chemidplus :

018433937

EPA Substance Registry Services :

18433-93-7

references :

4-methyl-2-(2-methylpropyl)-1,3-dioxolane

fl. number :

06.135

jecfa number :

1714

NIST Chemistry WebBook :

536403349

pubchem :

663580

other :

reference :

Luebke, William tgsc, (2008)¹

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
(Z+E)-2-iso	butyl-4-methyl-1,3-dioxolane
2-iso	butyl-4-methyl-1,3-dioxolane
cis- and trans-2-iso	butyl-4-methyl-1,3-dioxolane
4-	methyl-2-(2-methyl propyl)-1,3-dioxolane
4-	methyl-2-(2-methylpropyl)-1,3-dioxolane
iso	valeraldehyde propyleneglycol acetal
iso	valeric aldehyde propylene glycol acetal
iso	valeric aldehyde propyleneglycol acetal
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
iso	amyl 3-(2-furan) propionate
	anisyl propanal / methyl anthranilate schiff's base
	benzyl methyl ether
iso	butyl benzyl carbinol
	chrysanthemum oxide
	citral dimethyl acetal
	clary sage absolute
	cuminyl acetaldehyde
	decanal propylene glycol acetal
(E)-4-	decen-1-al
	dimethyl succinate
	earthy acetal
	ethyl 2-benzyl butyrate
2-	ethyl octine carbonate
	farnesyl acetate
	gardenia absolute
	hyacinth absolute
	hydroxycitronellal diethyl acetal
	ivy carbaldehyde / methyl anthranilate schiff's base
	marine hexane
	methyl 2-undecynoate
	methyl cyclocitrone
4-	methyl-4-phenyl pentanone
	ocean propanal / methyl anthranilate schiff's base
	octyl oxyacetaldehyde
	peach pivalate
	phenyl acetaldehyde
	phenyl acetaldehyde diisobutyl acetal
	styralyl formate
	terpinyl isobutyrate
(odor and/or flavor) used in :
	caramel
	floral
	green
natural occurrence in :
	wine port wine - up to 2 mg/kg

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