propylene glycol diacetate
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IUPAC name :1-acetyloxypropan-2-yl acetate
InChI :InChI=1/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
InChIKey :MLHOXUWWKVQEJB-UHFFFAOYAR
SMILES :CC(COC(=O)C)OC(=O)C
cas number :623-84-7
(EINECS) number :210-817-6
beilstein number :1768914
fema number :4464
molar refractivity :37.98 ± 0.3 cm3
parachor :357.4 ± 4.0 cm3
index of refraction :1.415 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :1.057 ± 0.06 g/cm3
polarizability :15.05 ± 0.5 10-24cm3
XlogP : 0.70
molecular weight : 160.1677800 (IUPAC)
formula :C7 H12 O4
BioActivity Analysis :117276
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Inoue :PROPYLENE GLYCOL DIACETATE
Sigma-Aldrich-Aldrich :Propylene glycol diacetate
≥99.7%

organoleptics :

properties :
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 189.00 to 191.00 °C. @ 760.00 mm Hg
vapor pressure :0.57800 mm/Hg @ 25.00 °C.
flash point : 183.00  °F.  TCC  ( 83.89 °C. )
logP (o/w) : 0.82

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-Rat    13530.00  mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.

Oral-Guineapig    3420.00  mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.

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 ppmaverage maximum ppm
baked goods : 4.000009.00000
beverages(nonalcoholic) : 1.000001.50000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : 10.00000250.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 1.000002.00000
fruit ices : 1.000002.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 0.4000050.00000
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 : --
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
1-acetyloxypropan-2-yl acetate
(EINECS) number :210-817-6
RTECS :623-84-7
chemidplus :000623847
EPA Substance Registry Services :623-84-7
dtp/nci :75843

references :
 
1-acetyloxypropan-2-yl acetate
NIST Chemistry WebBook :623847
pubchem :155516

other :
synonyms :
1-acetyloxypropan-2-yl acetate
1,2-diacetoxypropane
 methyl ethylene acetate
 methyl ethylene diacetate
1,2-propane diol diacetate
 propane-1,2-diyl diacetate
1,2-propanediol diacetate
 propylene diacetate
1,2-propylene glycol diacetate
 propyleneglycol diacetate
1,2-propyleneglycol diacetate

soluble in :
 alcohol
 water, 100000 mg/L @ 25C

potential blenders :
 solvents 

potential uses :
 solvents

natural occurrence in :
 not found in nature  



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