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
formula :C12 H22 O4
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Inoue :DIISOPROPYL ADIPATE
Penta :diisopropyl adipate
Sigma-Aldrich-Aldrich :Diisopropyl adipate
Tokyo Chemical Industry :Diisopropyl Adipate
>97.0%(GC)

organoleptics :

properties :
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
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 :
 
recommendation for diisopropyl adipate 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 ppmaverage maximum ppm
baked goods : 200.00000400.00000
beverages(nonalcoholic) : 0.100002.00000
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 :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 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 : Search
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

(odor and/or flavor) used in :
 emollients
 plasticisers
 skin conditioning
 solvents

natural occurrence in :
not found in nature



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