isobutyl undecylenate 5421-27-2

isobutyl undecylenate

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IUPAC name :

2-methylpropyl undec-10-enoate

InChI :

InChI=1/C15H28O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h4,14H,1,5-13H2,2-3H3

InChIKey :

YXJSBTYPYXKWDB-UHFFFAOYAD

SMILES :

CC(C)COC(=O)CCCCCCCCC=C

(EINECS) number :	226-538-8
cas number :	5421-27-2
fema number :	4358
jecfa number :	1634
molar refractivity :	73.00 ± 0.3 cm3
parachor :	640.0 ± 4.0 cm3
index of refraction :	1.443 ± 0.02
surface tension :	29.3 ± 3.0 dyne/cm
density :	0.873 ± 0.06 g/cm3
polarizability :	28.93 ± 0.5 10-24cm3
xlogp :	5.80
molecular weight :	240.3816200
formula :	C15 H28 O2
BioActivity Analysis :	72636

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor type :

fatty

odor strength :

medium

odor description :
at 100.00 %.

fatty fruity

properties :

appearence :

colorless clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.86800 - 0.87300 @ 20.00 °C.

pounds per gallon - calc. :

7.231 to 7.273

refractive index :

1.43800 - 1.44200 @ 20.00 °C.

boiling point :

264.00 - 266.00 °C. @ 760.00 mm Hg

logp :

5.86

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

258.00 °F. TCC ( 125.56 °C. )

recommendation for isobutyl undecylenate usage levels up to :

8.0000 % 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.

4358

average usual ppm

average maximum ppm

baked goods :

20.00000

46.00000

beverages(nonalcoholic) :

0.50000

3.00000

beverages(alcoholic) :

2.00000

10.00000

breakfast cereal :

cheese :

chewing gum :

0.10000

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

fruit ices :

gelatins / puddings :

2.00000

3.00000

granulated sugar :

gravies :

hard candy :

7.00000

20.00000

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 :

5.00000

soups :

sugar substitutes :

sweet sauces :

3.00000

safety links :

(EINECS) number :

chemidplus :

epa-srs :

dtp/nci :

EPI System :

other :

references :

jecfa number :

1634

pubchem :

656463

synonyms :
iso	butyl 10-undecenoate
iso	butyl undec-10-enoate
iso	butyl undecylenate
10-	undecenoic acid 2-methyl propyl ester
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	acetyl butyryl
	allyl cyclohexyl hexanoate
	benzyl octanoate
	coconut absolute
9-	decenoic acid
	decyl propionate
3-	heptanone
(E)-2-	hepten-1-yl acetate
3-	methyl-2-cyclopenten-1-one
3-(5-	methyl-2-furyl) butanal
(Z)-3-	octen-1-ol
	octyl heptanoate
	petal pyranone
gamma-	undecalactone
	valeraldehyde diethyl acetal
iso	valeraldehyde diethyl acetal
natural occurrence in :
	not found in nature

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