diisobutyl adipate 141-04-8

diisobutyl adipate

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IUPAC name :

bis(2-methylpropyl) hexanedioate

InChI :

InChI=1/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3

InChIKey :

RDOFJDLLWVCMRU-UHFFFAOYAW

SMILES :

CC(C)COC(=O)CCCCC(=O)OCC(C)C

cas number :	141-04-8
(EINECS) number :	205-450-3
fema number :	4475
molar refractivity :	70.37 ± 0.3 cm3
parachor :	633.3 ± 4.0 cm3
index of refraction :	1.439 ± 0.02
surface tension :	31.5 ± 3.0 dyne/cm
density :	0.966 ± 0.06 g/cm3
polarizability :	27.89 ± 0.5 10-24cm3
XlogP :	2.80
molecular weight :	258.3538400 (IUPAC)
formula :	C14 H26 O4
BioActivity Analysis :	72330
NMR Predictor :	Predict

export tariff code :

2917.12.5000

fda reg :

unspecified

Suppliers :

Grau Aromatics :

DI-iso-BUTYL-ADIPATE
NI

Sigma-Aldrich-Aldrich :

Diisobutyl adipate
99%

Tokyo Chemical Industry :

Diisobutyl Adipate
>99.0%(GC)

Unitex :

UNIPLEX 165
99.0 % minimum

organoleptics :

odor description :

bland

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

279.00 to 281.00 °C. @ 760.00 mm Hg

vapor pressure :

0.00056 mm/Hg @ 25.00 °C.

flash point :

235.00 °F. TCC ( 112.78 °C. )

logP (o/w) :

4.19

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) :

Oral-Guineapig 12300.00 ul/kg

Intraperitoneal-Rat 5950.00 ul/kg

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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 : 24

average usual ppm

average maximum ppm

baked goods :

5.00000

10.00000

beverages(nonalcoholic) :

beverages(alcoholic) :

breakfast cereal :

cheese :

5.00000

10.00000

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

5.00000

10.00000

fish products :

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

milk products :

5.00000

10.00000

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

5.00000

10.00000

soft candy :

soups :

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

NLM Developmental and Reproductive Toxicity :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

bis(2-methylpropyl) hexanedioate

(EINECS) number :

205-450-3

RTECS :

AV1480000 for 141-04-8

chemidplus :

000141048

EPA Substance Registry Services :

141-04-8

dtp/nci :

6343

references :

bis(2-methylpropyl) hexanedioate

NIST Chemistry WebBook :

4109907561

pubchem :

151978

Cosmetics :

Cosmetic uses :

emollients
masking agents
plasticisers
skin conditioning
solvents

other :

CosIng :

cosmetic data

Household Products :

synonyms :
	adipic acid diisobutyl ester
	diisobutyl hexane dioate
	diisobutyl hexanedioate
	hexane dioic acid bis(2-methyl propyl) ester
	hexanedioic acid bis(2-methylpropyl) ester
bis(2-	methyl propyl) hexane dioate
bis(2-	methylpropyl) hexanedioate
bis(2-	methylpropyl)hexanedioate
soluble in :
	alcohol
	water, 18.8 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) used in :
	emollients
	fixer
	plasticisers
	skin conditioning
	solvents
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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