octanal propylene glycol acetal
aldehyde C-8 propylene glycol acetal
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      74094-61-4 2-Heptyl-4-methyl-1,3-dioxolane
       
  • CSA
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CAS Number: 74094-61-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 277-712-5
FDA UNII: M8I6861388
Nikkaji Web: J318.909K
XlogP3-AA: 3.70 (est)
Molecular Weight: 186.29474000
Formula: C11 H22 O2
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
JECFA Food Flavoring: 1741  octanal propyleneglycol acetal
FEMA Number: 4383  octanal propyleneglycol acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):74094-61-4 ; OCTANAL PROPYLENEGLYCOL ACETAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88600 to 0.89300 @  25.00 °C.
Pounds per Gallon - (est).: 7.372 to  7.431
Refractive Index: 1.42700 to 1.43400 @  20.00 °C.
Boiling Point: 236.00 to  237.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.136000 mmHg @ 25.00 °C. (est)
Flash Point: 183.00 °F. TCC ( 83.89 °C. )
logP (o/w): 3.447 (est)
Soluble in:
 alcohol
 water, 55.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
Odor Description:
at 10.00 % in dipropylene glycol. 
green woody
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2-Heptyl-4-methyl-1,3-dioxolane
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
Recommendation for octanal 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: 10.0000050.00000
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 10.0000050.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.5000010.00000
fish products: --
frozen dairy: 1.0000010.00000
fruit ices: --
gelatins / puddings: 2.0000010.00000
granulated sugar: --
gravies: --
hard candy: 1.6000010.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 2.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 1.6000010.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 560109
National Institute of Allergy and Infectious Diseases: Data
 2-heptyl-4-methyl-1,3-dioxolane
Chemidplus: 0074094614
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References:
 2-heptyl-4-methyl-1,3-dioxolane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 74094-61-4
Pubchem (cid): 560109
Pubchem (sid): 135204650
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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): HMDB32448
FooDB: FDB009957
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
 betula pubescens bud oilFL/FR
 spruce needle absoluteFL/FR
 valerian rhizome absoluteFL/FR
citrus
alpha-methylene citronellalFR
 neroli ketoneFR
floral
 karo karounde absoluteFR
 linaloolFL/FR
beta-ocimeneFL/FR
 orange leaf absoluteFL/FR
fruity
 apple ketalFL/FR
 green acetateFR
green
 bergoxaneFR
 bicyclogermacrene 
alpha-elemolFL/FR
 fresh nitrileFR
 galbanum oilFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
(E)-2-hexen-1-yl salicylateFR
para-methyl hydratropaldehydeFL/FR
 terpinyl propionateFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
herbal
 bornyl salicylateFR
(+)-alpha-campholenic aldehydeFL/FR
 canarium luzonicum oilFL/FR
isodihydrolavandulalFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 nonisyl formateFR
3-octyl acetateFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
melon
(Z)-6-nonenalFL/FR
minty
(-)-isopulegolFL/FR
mossy
 oakmoss absoluteFL/FR
orris
isoeugenyl formateFL/FR
spicy
isocyclogeraniol (IFF)FR
2-octanolFL/FR
woody
beta-cadinene 
beta-eudesmol 
alpha-thujene 
 
For Flavor
 
No flavor group found for these
 betula pubescens bud oilFL/FR
 bicyclogermacrene 
beta-cadinene 
alpha-elemolFL/FR
beta-eudesmol 
isoeugenyl formateFL/FR
alpha-thujene 
balsamic
 spruce needle absoluteFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
citrus
 linaloolFL/FR
floral
 orange leaf absoluteFL/FR
fruity
 apple ketalFL/FR
 valerian rhizome absoluteFL/FR
 valerian rhizome oilFL/FR
 valerian rhizome oil chinaFL/FR
 valerian rhizome oil CO2 extract chinaFL/FR
green
(+)-alpha-campholenic aldehydeFL/FR
 canarium luzonicum oilFL/FR
 galbanum oilFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
para-methyl hydratropaldehydeFL/FR
(Z)-6-nonenalFL/FR
 oakmoss absoluteFL/FR
beta-ocimeneFL/FR
3-octyl acetateFL/FR
 terpinyl propionateFL/FR
herbal
isodihydrolavandulalFL/FR
minty
(-)-isopulegolFL/FR
spicy
2-octanolFL/FR
 
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Potential Uses:
 absintheFL
 acaciaFR
 agrumen aldehydeFR
 algaeFR
 amaryllisFR
 apple green appleFR
 artichokeFL
 asafoetidaFL/FR
 asparagusFL
 avocadoFR
 basil oil replacerFR
 boxwoodFR
 boxwood blossomFR
 boxwood berryFR
 cajeputFL/FR
 carrotFL
 carrot seedFL/FR
 celeryFR
 chamomileFR
 cilantroFL/FR
 clary sage oil replacerFR
 clematisFR
 cognacFR
 cortexFR
 costusFR
 cucumberFR
 currant bud absolute replacerFL/FR
 daffodilFR
 dill weedFL/FR
 elemiFR
 evergreenFR
 fennelFR
 fernFR
 figFR
 fir 
 fir balsamFR
 foliageFR
 galbanumFR
 geraniumFR
 grass 
 greenFR
 green grassFR
 green leafFR
 guavaFR
 hopFR
 hyacinthFR
 hydrangeaFR
 ivyFR
 jonquilFR
 leaf 
 lettuceFL
 liverwort 
 lotusFR
 marjoramFL/FR
 mimosaFR
 narcissusFR
 oreganoFR
 pansyFR
 parsley leafFL/FR
 pea green peaFL
 pear prickly pearFL
 pepper bell pepperFL
 pine scotch pineFL/FR
 privetFR
 privet blossomFR
 resedaFR
 rhubarbFR
 root beerFR
 rose geraniumFR
 rose leafFL/FR
 stem 
 strawberry leaf 
 tomatoFL
 tomato leafFR
 valerianFL/FR
 vegetableFL
 vegetation tropical hothouse vegetation 
 vine 
 violet leafFR
 weedy 
 wintergreenFR
 wormwood oil replacerFR
 yewFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 aldehyde C-8 propylene glycol acetal
1,3-dioxolane, 2-heptyl-4-methyl-
1,3-dioxolane,2-heptyl-4-methyl-
2-heptyl-4-methyl-1,3-dioxolane
 octanal propyleneglycol acetal
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