propylene acetal
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :222-221-3
cas number :3390-12-3
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
formula :C5 H10 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Oxford Chemicals Ltd :ACETALDEHYDE PG ACETAL
≥99.00%, NI, Kosher

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
logp : 0.26

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 53.00  °F.  TCC  ( 11.67 °C. )
recommendation for propylene acetal 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).
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
 
 
 2,4-dimethyl-1,3-dioxolane
(EINECS) number :222-221-3
chemidplus :003390123
EPA Substance Registry Services :3390-12-3
NLM Chemical Carcinogenesis Research Information System :3390-12-3
NLM Developmental and Reproductive Toxicity :3390-12-3
NLM Env. Mutagen Info. Center :3390-12-3
NLM GENetic TOXicology :3390-12-3

references :
 2,4-dimethyl-1,3-dioxolane
jecfa number :1711
fl. number :06.077
pubchem :680491
NIST Chemistry WebBook :3862790283

other :
synonyms :
 acetaldehyde cyclic propylene glycol acetal
 acetaldehyde propylene glycol acetal
2,4-dimethyl-1,3-dioxolane
 propylene acetal

soluble in :
 alcohol
 water

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
 bark carbaldehyde
 berry pentadienoate
 boronia absolute
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl heptanoate
 butyl isobutyrate
isobutyl propionate
sec-butyl-3-methyl but-2-ene thioate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
para-cresyl isobutyrate
beta-cyclocitral
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
3-decen-2-one
9-decenoic acid
 dibutyl sulfide
 diethyl malonate
 dimethyl succinate
6,8-dimethyl-2-nonanol
3,7-dimethyl-6-octenoic acid
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl methyl-para-tolyl glycidate
2-ethyl pyridine
2-ethyl-4-butanol
 fir carboxylate
 furfuryl propionate
3-(2-furyl) acrolein
(E)-geranyl acetone
 geranyl isovalerate
 grass notes
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
(Z)-3-hepten-1-ol
3-hepten-2-one
2-heptenoic acid
 heptyl heptanoate
 heptyl isobutyrate
 hexanal dihexyl acetal
 hexanal propylene glycol acetal
(Z)-3-hexen-1-al
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
(Z)-3-hexenoic acid
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 lilac acetaldehyde
 lily propanol
 linalyl hexanoate
 litsea cubeba oil
 marigold oil mexico
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
(E)-methyl geranate
 methyl heptanoate
 methyl R-3-acetoxyhexanoate
3-(methyl thio) hexanal
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
2-methyl-2-penten-1-al
3-methyl-3-pentanol
 mimosa absolute
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 papaya isobutyrate
(E)-2-penten-1-al
2-pentyl furan
 phenoxyethyl isobutyrate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl hexanoate
isopropyl 2-methyl butyrate
alpha-isopropyl phenyl acetaldehyde
 rhubarb undecane
 sorbyl isobutyrate
 tagete oil india
 tetrahydrofurfuryl butyrate
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
3,5,5-trimethyl hexanol
 tropical indene
 tropical thiazole
 violet dienyne
 woody acetate

(odor and/or flavor) used in :
 fruit
 green

natural occurrence in :
found in nature



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