diisopropyl adipate 6938-94-9

diisopropyl adipate

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IUPAC name :

dipropan-2-yl hexanedioate

InChI :

InChI=1/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey :

ZDQWESQEGGJUCH-UHFFFAOYAB

SMILES :

CC(C)OC(=O)CCCCC(=O)OC(C)C

cas number :	6938-94-9
(EINECS) number :	230-072-0
beilstein number :	1785346
fema number :	4474
molar refractivity :	61.11 ± 0.3 cm3
parachor :	553.8 ± 4.0 cm3
index of refraction :	1.434 ± 0.02
surface tension :	31.1 ± 3.0 dyne/cm
density :	0.982 ± 0.06 g/cm3
polarizability :	24.22 ± 0.5 10-24cm3
XlogP :	2.40
molecular weight :	230.3006800 (IUPAC)
formula :	C12 H22 O4
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Sigma-Aldrich-Aldrich :

Diisopropyl adipate
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Tokyo Chemical Industry :

Diisopropyl Adipate
>97.0%(GC)

organoleptics :

odor strength :

low

odor description:
at 100.00 %.

mild estery fatty sour

properties :

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

-1.10 °C. @ 760.00 mm Hg

boiling point :

251.00 to 253.00 °C. @ 760.00 mm Hg

flash point :

229.00 °F. TCC ( 109.44 °C. )

logP (o/w) :

3.20

safety :

Oral Toxicity(LD50) :

intravenous-Rat 640.00 mg/kg

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Category :

solvents/deluents for flavor and/or fragrance agents

recommendation for diisopropyl adipate fragrance usage levels up to :

not for fragrance 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 :

200.00000

400.00000

beverages(nonalcoholic) :

0.10000

2.00000

beverages(alcoholic) :

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

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 :

soups :

sugar substitutes :

sweet sauces :

safety references :

EPI System :

view

Cancer Citations :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

dipropan-2-yl hexanedioate

(EINECS) number :

230-072-0

chemidplus :

006938949

EPA Substance Registry Services :

6938-94-9

dtp/nci :

56587

references :

dipropan-2-yl hexanedioate

NIST Chemistry WebBook :

3954739262

pubchem :

165944

Cosmetics :

Cosmetic uses :

emollients
masking agents
plasticisers
skin conditioning
solvents

other :

CosIng :

cosmetic data

Household Products :

synonyms :
	adipic acid diisopropyl ester
	dipropan-2-yl hexanedioate
	hexane dioic acid 1,6-bis(1-methyl ethyl) ester
	hexane dioic acid bis(1-methyl ethyl) ester
	hexanedioic acid 1,6-bis(1-methylethyl) ester
	hexanedioic acid bis(1-methylethyl) ester
bis(1-	methyl ethyl) hexane dioate
bis(1-	methylethyl)hexane dioate
soluble in :
	alcohol
insoluble in :
	water
potential uses :
	emollients
	plasticisers
	skin conditioning
	solvents
natural occurrence in : note
	not found in nature

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