nonanal dimethyl acetal
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IUPAC name :1,1-dimethoxynonane
InChI :InChI=1/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3
InChIKey :LYLVOCPDQAOQKL-UHFFFAOYAZ
SMILES :CCCCCCCCC(OC)OC
cas number :18824-63-0
(EINECS) number :242-603-3
fema number :4367
jecfa number :1742
molar refractivity :56.45 ± 0.3 cm3
parachor :506.5 ± 4.0 cm3
index of refraction :1.419 ± 0.02
surface tension :26.5 ± 3.0 dyne/cm
density :0.843 ± 0.06 g/cm3
polarizability :22.38 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 188.3070600 (IUPAC)
formula :C11 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2911.00.5000
fda reg :unspecified

Suppliers :
Inoue :NONANAL DIMETHYL ACETAL
Penta :nonanal dimethyl acetal

organoleptics :
odor type :citrus
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
fresh floral plastic citrus green
Luebke, William tgsc, (1995)
odor sample from :Bedoukian Research, Inc.
substantivity :8  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84100 to 0.85100 @ 25.00 °C.
pounds per gallon - calc. : 6.998 to 7.081
refractive index :1.41300 to 1.42300 @ 20.00 °C.
boiling point : 62.00 °C. @ 15.00 mm Hg
flash point : 155.00  °F.  TCC  ( 68.33 °C. )
logP (o/w) : 3.80

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 nonanal dimethyl acetal fragrance usage levels up to :
  2.0000 % 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 : --
beverages(nonalcoholic) : 1.0000010.00000
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : --
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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
1,1-dimethoxynonane
(EINECS) number :242-603-3
chemidplus :018824630
EPA Substance Registry Services :18824-63-0

references :
 
1,1-dimethoxynonane
jecfa number :1742
NIST Chemistry WebBook :18824630
pubchem :664642

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 aldehyde C-9 dimethyl acetal
1,1-dimethoxynonane
 pelargonaldehyde dimethyl acetal
 pelargonic aldehyde dimethyl acetal

Similar Products:    note
 acetaldehyde dimethyl acetal
 acetyl acetaldehyde dimethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
para-anisaldehyde dimethyl acetal
 butyraldehyde dimethyl acetal
 cinnamaldehyde dimethyl acetal
 citral dimethyl acetal
 citronellal dimethyl acetal
 citronellyl oxyacetaldehyde dimethyl acetal
 cyclamen aldehyde dimethyl acetal
 decanal dimethyl acetal
 dodecanal dimethyl acetal
2-ethyl hexanal dimethyl acetal
 heliotropyl dimethyl acetal
 heptanal dimethyl acetal
 hexanal dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
(E)-2-hexen-1-al dimethyl acetal
 hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde dimethyl acetal
 hydroxycitronellal dimethyl acetal
2-methyl undecanal dimethyl acetal
isononanal dimethyl acetal
(Z)-6-nonen-1-al dimethyl acetal
2-nonyn-1-al dimethyl acetal
 octanal dimethyl acetal
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
3-phenyl propionaldehyde dimethyl acetal
 propionaldehyde dimethyl acetal
 undecanal dimethyl acetal
 valeraldehyde dimethyl acetal

soluble in :
 alcohol

insoluble in :
 water

stability :
 alkalis

potential blenders :    note
 amyl benzoateFL/FR
alpha-butyl cinnamaldehydeFL/FR
 cinnamyl formateFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 cumin carbinolFR
 cyclohexyl ethyl acetateFL/FR
3-decanoneFL/FR
2-decen-1-alFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
6,8-dimethyl-2-nonanolFR
 ethyl methyl-para-tolyl glycidateFL/FR
 floral butanalFR
1-furfuryl pyrroleFL/FR
 gardenia concreteFR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
(E,E)-2,4-hexadien-1-alFL
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 mandarin oil uruguayFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet undecadienalFR
 neroli oilFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 octanal dimethyl acetalFL/FR
 orange leaf absoluteFL/FR
 papaya isobutyrateFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
 rose butanoateFL/FR
 styreneFL
 sweet pea absoluteFR
alpha-terpineolFL/FR
 tricyclodecenyl acetateFR
 undecanal dimethyl acetalFR
 undecanolFL/FR

potential uses :
 citrus
 floral
 fresh
 green
 outdoors natural outdoors
 plastic

natural occurrence in :    note
 not found in nature  

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