isobutyraldehyde propylene glycol acetal
cis- and trans-2-isopropyl-4-methyl-1,3-dioxolane
 
Notes:
Used as a food additive [EAFUS]
  • BOC Sciences
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      Product(s):
      67879-60-1 2-isoPropyl-4-methyl-1,3-dioxolane
       
  • Prodasynth
    • Prodasynth
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      Product(s):
      ISOBUTYRALDEHYDE PG ACETAL (SUM OF ISOMERS > 98%)
       
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CAS Number: 67879-60-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 267-550-3
FDA UNII: 5762LU30BD
Nikkaji Web: J287.623J
XlogP3-AA: 1.60 (est)
Molecular Weight: 130.18698000
Formula: C7 H14 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring 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: 1713  isobutanal propyleneglycol acetal
FEMA Number: 4287  cis- and trans-2-isopropyl-4-methyl-1,3-dioxolane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):67879-60-1 ; CIS- AND TRANS-2-ISOPROPYL-4-METHYL-1,3-DIOXOLANE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.90300 to 0.90900 @  25.00 °C.
Pounds per Gallon - (est).: 7.514 to  7.564
Refractive Index: 1.40700 to 1.41200 @  20.00 °C.
Boiling Point: 142.00 to  143.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 6.758000 mmHg @ 25.00 °C. (est)
Flash Point: 103.00 °F. TCC ( 39.44 °C. )
logP (o/w): 1.481 (est)
Soluble in:
 alcohol
 water, 5444 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:
winey
 
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-isoPropyl-4-methyl-1,3-dioxolane
Inoue Perfumery
isoBUTANAL PG ACETAL
Prodasynth
ISOBUTYRALDEHYDE PG ACETAL
(SUM OF ISOMERS > 98%)
Odor: WINE
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
 
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: flavoring agents
Recommendation for isobutyraldehyde propylene glycol acetal usage levels up to:
 not for fragrance use.
 
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: 15.0000030.00000
beverages(nonalcoholic): 5.0000050.00000
beverages(alcoholic): 5.0000010.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 10.0000020.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.0000010.00000
fruit ices: 0.500002.50000
gelatins / puddings: 5.0000010.00000
granulated sugar: --
gravies: --
hard candy: 20.0000050.00000
imitation dairy: --
instant coffee / tea: 1.000005.00000
jams / jellies: --
meat products: --
milk products: 5.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 10.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 67879-60-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 98461
National Institute of Allergy and Infectious Diseases: Data
 4-methyl-2-propan-2-yl-1,3-dioxolane
Chemidplus: 0067879601
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References:
 4-methyl-2-propan-2-yl-1,3-dioxolane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 67879-60-1
Pubchem (cid): 98461
Pubchem (sid): 135079870
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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): HMDB32204
FooDB: FDB009185
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 fleabane oil (conyza canadensis) 
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
 terpinyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
floral
 dimethyl anthranilateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl heptanoateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 methyl nonanoateFL/FR
2-pentanoneFL/FR
 propyl heptanoateFL/FR
 sorbyl butyrateFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
herbal
isoamyl tiglateFL/FR
 clary sage concreteFL/FR
white cognac oilFL/FR
 ethyl chrysanthemateFR
 phenethyl senecioateFL/FR
honey
 methyl hydrocinnamateFL/FR
roasted
2-methyl-1-butanolFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 butyl angelateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 ethyl aconitateFL
 farnesyl acetoneFL/FR
 fleabane oil (conyza canadensis) 
 fleabane oil (erigeron canadensis)FL
 geranyl acetoacetateFL/FR
2-hexanolFL/FR
 methyl hydrocinnamateFL/FR
2-methyl-1-butanolFL/FR
 phenethyl senecioateFL/FR
 sorbyl propionateFL
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
ethereal
isobutyl alcoholFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 rose oil (rosa damascena) bulgariaFL/FR
fruity
isoamyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 ethyl heptanoateFL/FR
 hexyl phenyl acetateFL/FR
2-pentanoneFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
fusel
green cognac oilFL/FR
white cognac oilFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl isobutyrateFL/FR
herbal
 clary sage concreteFL/FR
waxy
 allyl nonanoateFL/FR
 butyl undecylenateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 brandy apple brandyFL
 cognacFL
 sakiFL
 tequilaFL
 vermouthFL
 whiskeyFL
 wineFL
 wine sherry wineFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
isobutanal PG acetal
isobutanal propylene glycol acetal
isobutanal propyleneglycol acetal
iso-butyl aldehyde propylene glycol acetal
isobutyraldehyde PG acetal
isobutyraldehyde propyleneglycol acetal
isobutyraldehyde, propylene glycol acetal
1,3-dioxolane, 4-methyl-2-(1-methylethyl)-
4-methyl-2-(1-methyl ethyl)-1,3-dioxolane
4-methyl-2-(1-methylethyl)-1,3-dioxolane
4-methyl-2-propan-2-yl-1,3-dioxolane
(Z+E)-2-isopropyl-4-methyl-1,3-dioxolane
2-isopropyl-4-methyl-1,3-dioxolane
cis- and trans-2-isopropyl-4-methyl-1,3-dioxolane
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