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
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 :
 
recommendation for decanal propylene glycol acetal 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 :
synonyms :
 aldehyde C-10 propylene glycol acetal
 decanal propyleneglycol acetal
4-methyl-2-nonyl-1,3-dioxolane
2-nonyl-4-methyl-1,3-dioxolane

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
isoamyl 3-(2-furan) propionate
 amyl benzoate
 anisyl propanal / methyl anthranilate schiff's base
 benzyl methyl ether
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
 chrysanthemum oxide
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 cumin carbinol
 cuminyl acetaldehyde
3-decanone
(E)-4-decen-1-al
2-decen-1-al
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl succinate
6,8-dimethyl-2-nonanol
 earthy acetal
 ethyl 2-benzyl butyrate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
 farnesyl acetate
 floral butanal
 gardenia absolute
 gardenia concrete
 geranium oil
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth absolute
 hydroxycitronellal diethyl acetal
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 marine hexane
 methyl 2-undecynoate
 methyl cyclocitrone
para-methyl hydratropaldehyde
 methyl octine carbonate
4-methyl-4-phenyl pentanone
 mimosa absolute
 muguet undecadienal
 neroli oil
 nerolidol
(E)-nerolidol
 ocean propanal / methyl anthranilate schiff's base
 octanal dimethyl acetal
 octyl oxyacetaldehyde
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
 rose butanoate
 styralyl formate
 sweet pea absolute
 terpinyl isobutyrate
 tricyclodecenyl acetate
isovaleraldehyde propylene glycol acetal

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

natural occurrence in :
not found in nature



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