nonanal propylene glycol acetal
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      68391-39-9 4-Methyl-2-octyl-1,3-dioxolane
       
  • Penta International
    • Penta International Corporation
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      Product(s):
      14-49000 NONANAL PROPYLENE GLYCOL ACETAL
       
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CAS Number: 68391-39-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 269-947-7
FDA UNII: 28H9SFA7YM
Nikkaji Web: J349.380F
XlogP3-AA: 4.30 (est)
Molecular Weight: 200.32168000
Formula: C12 H24 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1743  nonanal propyleneglycol acetal
FEMA Number: 4373 nonanal propyleneglycol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):68391-39-9 ; NONANAL PROPYLENEGLYCOL ACETAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88400 to 0.88900 @  25.00 °C.
Pounds per Gallon - (est).: 7.356 to  7.397
Refractive Index: 1.43000 to 1.43600 @  20.00 °C.
Boiling Point: 253.00 to  254.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.053000 mmHg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 4.185 (est)
Soluble in:
 alcohol
 water, 17.9 mg/L @ 25 °C (est)
Insoluble in:
 water
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acetoin propylene glycol acetal
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vanillin propylene glycol acetal
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Organoleptic Properties:
Odor Description:
at 10.00 % in dipropylene glycol. 
fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Apple Flavor & Fragrance
Nonanal PG Acetal
Axsyn
For experimental / research use only.
1,3-Dioxolane,4-methyl-2-octyl-
BOC Sciences
For experimental / research use only.
4-Methyl-2-octyl-1,3-dioxolane
Inoue Perfumery
NONANAL PG ACETAL
Penta International
NONANAL PROPYLENE GLYCOL ACETAL
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for nonanal propylene glycol acetal 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 Flavor Ingredient Library
publication number: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 1.0000050.00000
beverages(nonalcoholic): 1.0000020.00000
beverages(alcoholic): --
breakfast cereal: 1.0000050.00000
cheese: 0.1000020.00000
chewing gum: 2.0000010.00000
condiments / relishes: 1.0000050.00000
confectionery froastings: 1.0000050.00000
egg products: 1.0000050.00000
fats / oils: 1.0000050.00000
fish products: --
frozen dairy: 0.1000020.00000
fruit ices: 1.0000020.00000
gelatins / puddings: 0.1000020.00000
granulated sugar: --
gravies: 1.0000050.00000
hard candy: 1.0000050.00000
imitation dairy: 1.0000050.00000
instant coffee / tea: --
jams / jellies: 0.1000020.00000
meat products: 1.0000050.00000
milk products: 1.0000050.00000
nut products: 0.1000020.00000
other grains: --
poultry: 0.1000020.00000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.0000050.00000
snack foods: 0.1000020.00000
soft candy: 1.0000050.00000
soups: 0.1000020.00000
sugar substitutes: --
sweet sauces: 0.1000020.00000
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 68391-39-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 95572
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 4-methyl-2-octyl-1,3-dioxolane
Chemidplus: 0068391399
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References:
 4-methyl-2-octyl-1,3-dioxolane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68391-39-9
Pubchem (cid): 95572
Pubchem (sid): 135052353
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32440
FooDB: FDB009940
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
floral
 benzyl isobutyrateFL/FR
 cassis buteneoneFR
 citronellal diisotridecyl acetalFR
(S)-citronellyl acetateFL/FR
 citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl linalyl acetateFR
 ethyl ortho-anisateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
2-phenethyl valerateFL/FR
 rhodinyl butyrateFL/FR
fruity
 allyl isononylateFR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
 octyl formateFL/FR
green
 hexyl phenyl acetateFL/FR
herbal
 geranium cyclohexaneFR
 geranyl octanoateFL/FR
 linalyl formateFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
 ethyl nonanoateFL/FR
winey
 butyl angelateFL/FR
woody
 santalyl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 butyl angelateFL/FR
 dihydrocitronellyl acetateFL/FR
 ethyl ortho-anisateFL/FR
 geranyl octanoateFL/FR
 geranyl valerateFL/FR
 linalyl formateFL/FR
2-phenethyl valerateFL/FR
 santalyl butyrateFL/FR
floral
 citronellyl acetateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 phenethyl propionateFL/FR
 rhodinyl butyrateFL/FR
fruity
 benzyl isobutyrateFL/FR
 citronellyl anthranilateFL/FR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
 hexyl phenyl acetateFL/FR
 phenethyl isovalerateFL/FR
green
(E)-citronellyl tiglateFL/FR
 octyl formateFL/FR
honey
 phenethyl isobutyrateFL/FR
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 
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Potential Uses:
 fruitFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 aldehyde C-9 propylene glycol acetal
1,3-dioxolane, 4-methyl-2-octyl-
1,3-dioxolane,4-methyl-2-octyl-
4-methyl-2-octyl-1,3-dioxolane
 nonanal PG acetal
 nonanal propyleneglycol acetal
2-octyl-4-methyl-1,3-dioxolane
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