isobutyl undecylenate 5421-27-2

isobutyl undecylenate

Suppliers organoleptics properties safety references FEMA Index Home Page

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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

cas number :	5421-27-2
(EINECS) number :	226-538-8
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
XlogP3 :	5.50
molecular weight :	240.3816200 (IUPAC)
formula :	C15 H28 O2
BioActivity Analysis :	72636
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

10-undecenoic acid 2-methylpropyl ester
orders in chinese.

organoleptics :

odor type :

fatty

odor strength :

medium

odor description:
at 100.00 %.

fatty fruity

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.86800 to 0.87300 @ 20.00 °C.

pounds per gallon - calc. :

7.231 to 7.273

refractive index :

1.43800 to 1.44200 @ 20.00 °C.

boiling point :

264.00 to 266.00 °C. @ 760.00 mm Hg

vapor pressure :

0.00100 mm/Hg @ 25.00 °C.

flash point :

258.00 °F. TCC ( 125.56 °C. )

logP (o/w) :

5.86

safety :

most important hazard(s) :

None - None found.

S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

flavor and fragrance agents

recommendation for isobutyl undecylenate fragrance 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).

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 :

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 references :

EPI System :

view

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-methylpropyl undec-10-enoate

(EINECS) number :

226-538-8

chemidplus :

005421272

EPA Substance Registry Services :

5421-27-2

dtp/nci :

6671

references :

2-methylpropyl undec-10-enoate

jecfa number :

1634

NIST Chemistry WebBook :

5421272

pubchem :

656463

other :

FDA Everything Added to Food in the United States (EAFUS)

View

synonyms :
iso	butyl 10-undecenoate
iso	butyl undec-10-enoate
2-	methylpropyl undec-10-enoate
10-	undecenoic acid 2-methyl propyl ester
Similar Products: note
	allyl undecylenate
	amyl undecylenate
iso	amyl undecylenate
	butyl undecylenate
para-	cresyl 10-undecylenate
	ethyl undecylenate
	geranyl undecylenate
	heptyl undecylenate
	methyl undecylenate
iso	propyl undecylenate
soluble in :
	alcohol
insoluble in :
	water
potential blenders : note
	acetyl butyryl	FL/FR
	allyl cyclohexyl hexanoate	FL/FR
	benzyl octanoate	FL/FR
	coconut absolute	FL/FR
9-	decenoic acid	FL/FR
	decyl propionate	FL/FR
3-	heptanone	FL/FR
(E)-2-	hepten-1-yl acetate	FL/FR
3-	methyl-2-cyclopenten-1-one	FL
3-(5-	methyl-2-furyl) butanal	FL
(Z)-3-	octen-1-ol	FL/FR
	octyl heptanoate	FL/FR
	petal pyranone	FL/FR
gamma-	undecalactone	FL/FR
	valeraldehyde diethyl acetal	FL
iso	valeraldehyde diethyl acetal	FL/FR
natural occurrence in : note
	not found in nature

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