propylene acetal
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IUPAC name :2,4-dimethyl-1,3-dioxolane
InChI :InChI=1/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3
InChIKey :ROSFUFIOLRQOON-UHFFFAOYAX
SMILES :CC1COC(O1)C
cas number :3390-12-3
(EINECS) number :222-221-3
fema number :4099
jecfa number :1711
fl. number :06.077
molar refractivity :26.46 ± 0.3 cm3
parachor :248.0 ± 4.0 cm3
index of refraction :1.393 ± 0.02
surface tension :25.1 ± 3.0 dyne/cm
density :0.921 ± 0.06 g/cm3
polarizability :10.49 ± 0.5 10-24cm3
XlogP : 0.70
molecular weight : 102.1317000 (IUPAC)
formula :C5 H10 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Apple :Acetaldehyde PG acetal
Frutarom :ACETALDEHYDE PG ACETAL
≥99.00%, NI, Kosher
Odor:  Fruity, Green Grassy
Suggested Uses: Hard Fruits, Soft Fruits, Tropical Fruits
Inoue :ACETALDEHYDE PROPYLENE GLYCOL ACETAL
Penta :2,4-dimethyl-1,3-dioxolane
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		fruity green grassy
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92100 to 0.92800 @ 20.00 °C.
pounds per gallon - calc. : 7.673 to 7.731
refractive index :1.39000 to 1.39700 @ 20.00 °C.
boiling point : 100.00 to 101.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :45.60000 mm/Hg @ 25.00 °C.
vapor density :3.5 ( Air = 1 )
flash point : 53.00  °F.  TCC  ( 11.67 °C. )
logP (o/w) : 0.26
safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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 propylene acetal fragrance usage levels up to :
  1.0000 % 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 : 22
 average usual ppmaverage maximum ppm
baked goods : 20.0000050.00000
beverages(nonalcoholic) : 10.0000030.00000
beverages(alcoholic) : 10.0000050.00000
breakfast cereal : --
cheese : --
chewing gum : 30.0000050.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 5.0000020.00000
fruit ices : 1.0000010.00000
gelatins / puddings : 5.0000010.00000
granulated sugar : --
gravies : --
hard candy : 5.0000020.00000
imitation dairy : --
instant coffee / tea : 5.0000040.00000
jams / jellies : 1.0000010.00000
meat products : --
milk products : 10.0000030.00000
nut products : --
other grains : --
poultry : --
processed fruits : 1.0000010.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 1.0000010.00000
soups : --
sugar substitutes : --
sweet sauces : 1.0000010.00000
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
WISER :UN 1993
 
WGK Germany :1
 
 
 
 
2,4-dimethyl-1,3-dioxolane
(EINECS) number :222-221-3
chemidplus :003390123
EPA Substance Registry Services :3390-12-3
references :
 
2,4-dimethyl-1,3-dioxolane
fl. number :06.077
jecfa number :1711
NIST Chemistry WebBook :3862790283
pubchem :680491
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 acetaldehyde cyclic propylene glycol acetal
 acetaldehyde propylene glycol acetal
2,4-dimethyl-1,3-dioxolane
soluble in :
 alcohol
 water
potential blenders :    note
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl tiglateFL
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 bark carbaldehydeFR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl heptanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL
 cherry pentenoateFL/FR
 citronellyl propionateFL/FR
 cognac heptanoneFL/FR
para-cresyl isobutyrateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
gamma-damasconeFR
alpha-decalactoneFR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 dibutyl sulfideFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
3,7-dimethyl-6-octenoic acidFL
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl pyridineFL
2-ethyl-4-butanolFL/FR
 fir carboxylateFR
 furfuryl propionateFL
3-(2-furyl) acroleinFL
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 grass notes 
 green dioxolaneFR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
(Z)-3-hepten-1-olFL/FR
3-hepten-2-oneFL/FR
2-heptenoic acidFL
 heptyl heptanoateFL/FR
 heptyl isobutyrateFL/FR
 hexanal dihexyl acetalFL
 hexanal propylene glycol acetalFL/FR
(Z)-3-hexen-1-alFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetate 
(Z)-3-hexenoic acidFL
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 lilac acetaldehydeFL/FR
 lily propanolFR
 linalyl hexanoateFL/FR
 litsea cubeba oilFL/FR
 marigold oil mexico 
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
 methyl heptanoateFL/FR
 methyl R-3-acetoxyhexanoate 
3-(methyl thio) hexanalFL
2-methyl valeraldehydeFL
 methyl valerateFL/FR
3-methyl valeric acidFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
2-methyl-2-penten-1-alFL/FR
3-methyl-3-pentanolFL
 mimosa absoluteFL/FR
 nerolidyl isobutyrateFR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 papaya isobutyrateFL/FR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 rhubarb undecaneFR
 sorbyl isobutyrateFL/FR
 tagete oil indiaFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 timber dioxolaneFR
 tricyclodecyl acetateFR
3,5,5-trimethyl hexanolFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
 violet dienyneFR
 woody acetateFR
potential uses :
 fruit
 green
 tropical
natural occurrence in :    note
 found in nature  

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