decanal propylene glycol acetal
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IUPAC name :4-methyl-2-nonyl-1,3-dioxolane
InChI :InChI=1/C13H26O2/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-13H,3-11H2,1-2H3
InChIKey :SJLDHKPBFAHHSI-UHFFFAOYAK
SMILES :CCCCCCCCCC1OCC(O1)C
cas number :5421-12-5
(EINECS) number :226-536-7
fema number :4364
jecfa number :1744
molar refractivity :63.51 ± 0.3 cm3
parachor :571.2 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :30.0 ± 3.0 dyne/cm
density :0.878 ± 0.06 g/cm3
polarizability :25.17 ± 0.5 10-24cm3
XlogP : 5.00
molecular weight : 214.3443400 (IUPAC)
formula :C13 H26 O2
BioActivity Analysis :72608
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Inoue :DECANAL PG ACETAL
organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		green floral
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.88100 to 0.88700 @ 25.00 °C.
pounds per gallon - calc. : 7.331 to 7.381
refractive index :1.43300 to 1.43900 @ 20.00 °C.
boiling point : 270.00 to 271.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.02200 mm/Hg @ 25.00 °C.
flash point : 214.00  °F.  TCC  ( 101.11 °C. )
logP (o/w) : 4.51
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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 decanal propylene glycol acetal fragrance usage levels up to :
  3.0000 % 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 : 23
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 1.0000010.00000
beverages(alcoholic) : --
breakfast cereal : 1.0000030.00000
cheese : 1.0000030.00000
chewing gum : 10.0000050.00000
condiments / relishes : 0.2000040.00000
confectionery froastings : 0.2000040.00000
egg products : 1.0000030.00000
fats / oils : 1.00000100.00000
fish products : 0.2000040.00000
frozen dairy : 0.2000040.00000
fruit ices : 2.0000040.00000
gelatins / puddings : 0.2000040.00000
granulated sugar : --
gravies : 1.0000030.00000
hard candy : 1.00000100.00000
imitation dairy : 1.0000030.00000
instant coffee / tea : --
jams / jellies : --
meat products : 0.2000040.00000
milk products : 2.0000030.00000
nut products : 1.0000030.00000
other grains : 1.0000030.00000
poultry : 1.0000030.00000
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 1.00000100.00000
snack foods : 1.0000030.00000
soft candy : 1.00000100.00000
soups : 0.2000040.00000
sugar substitutes : --
sweet sauces : --
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
4-methyl-2-nonyl-1,3-dioxolane
(EINECS) number :226-536-7
chemidplus :005421125
EPA Substance Registry Services :5421-12-5
dtp/nci :6643
references :
 
4-methyl-2-nonyl-1,3-dioxolane
jecfa number :1744
pubchem :672549
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 aldehyde C-10 propylene glycol acetal
 decanal propyleneglycol acetal
4-methyl-2-nonyl-1,3-dioxolane
2-nonyl-4-methyl-1,3-dioxolane
Similar Products:    note
 acetoin propylene glycol acetal
 anisaldehyde propylene glycol acetal
 benzaldehyde propylene glycol acetal
 butyraldehyde propylene glycol acetal
isobutyraldehyde propylene glycol acetal
 cinnamaldehyde propylene glycol acetal
 citral propylene glycol acetal
 cyclamen aldehyde propylene glycol acetal
 ethyl vanillin propylene glycol acetal
 furfural propylene glycol acetal
 heliotropyl propylene glycol acetal
 hexanal propylene glycol acetal
(E)-2-hexen-1-al propylene glycol acetal
 hydroxycitronellal propylene glycol acetal
 melon heptenal propylene glycol acetal
6-methyl-5-hepten-2-one propylene glycol acetal
 nonanal propylene glycol acetal
2-nonanone propylene glycol acetal
 octanal propylene glycol acetal
 perillaldehyde propylene glycol acetal
 phenyl acetaldehyde propylene glycol acetal
para-tolualdehyde propylene glycol acetal
 undecanal propylene glycol acetal
 valeraldehyde propylene glycol acetal
isovaleraldehyde propylene glycol acetal
 vanillin propylene glycol acetal
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzyl methyl etherFL/FR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
 chrysanthemum oxideFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 clary sage absoluteFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
 farnesyl acetateFL/FR
 floral butanalFR
 gardenia absoluteFR
 gardenia concreteFR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth absoluteFL/FR
 hydroxycitronellal diethyl acetalFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 marine hexaneFR
 methyl 2-undecynoateFL
 methyl cyclocitroneFR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
4-methyl-4-phenyl pentanoneFR
 mimosa absoluteFL/FR
 muguet undecadienalFR
 neroli oilFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octanal dimethyl acetalFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
 papaya isobutyrateFL/FR
 peach pivalateFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 rose butanoateFL/FR
 styralyl formateFL/FR
 sweet pea absoluteFR
 terpinyl isobutyrateFL/FR
 tricyclodecenyl acetateFR
isovaleraldehyde propylene glycol acetalFL/FR
potential uses :
 floral
 green
natural occurrence in :    note
 not found in nature  

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