EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isobutyraldehyde propylene glycol acetal
cis- and trans-2-isopropyl-4-methyl-1,3-dioxolane

Supplier Sponsors

Name:4-methyl-2-propan-2-yl-1,3-dioxolane
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
 
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
Similar Items:note
acetoin propylene glycol acetal
anisaldehyde propylene glycol acetal
benzaldehyde propylene glycol acetal
butyraldehyde propylene glycol acetal
cinnamaldehyde propylene glycol acetal
citral propylene glycol acetal
cyclamen aldehyde propylene glycol acetal
decanal propylene glycol acetal
ethyl vanillin propylene glycol acetal
furfural propylene glycol acetal
heliotropyl propylene glycol acetal
hexanal propylene glycol acetal
(E)-2-hexen-1-al propylene glycol acetal
hydroxycitronellal propylene glycol acetal
melon heptenal propylene glycol acetal
6-methyl-5-hepten-2-one propylene glycol acetal
nonanal propylene glycol acetal
2-nonanone propylene glycol acetal
octanal propylene glycol acetal
perillaldehyde propylene glycol acetal
phenyl acetaldehyde propylene glycol acetal
para-tolualdehyde propylene glycol acetal
undecanal propylene glycol acetal
valeraldehyde propylene glycol acetal
isovaleraldehyde propylene glycol acetal
vanillin propylene glycol acetal
 
Organoleptic Properties:
Odor Description:winey
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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
 
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
 
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
 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: --
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
terpinyl cinnamate
FL/FR
caramellic
diethyl malate
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
dimethyl anthranilate
FL/FR
rose oil (rosa damascena) bulgaria
FL/FR
fruity
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl sebacate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl heptanoate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
green
cognac oil
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
herbal
iso
amyl tiglate
FL/FR
clary sage concrete
FL/FR
white
cognac oil
FL/FR
ethyl chrysanthemate
FR
phenethyl senecioate
FL/FR
honey
methyl hydrocinnamate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
For Flavor
No flavor group found for these
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
butyl angelate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
ethyl aconitate
FL
farnesyl acetone
FL/FR
fleabane oil (erigeron canadensis)
FL
geranyl acetoacetate
FL/FR
2-
hexanol
FL/FR
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
phenethyl senecioate
FL/FR
sorbyl propionate
FL
balsamic
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
ethereal
iso
butyl alcohol
FL/FR
fatty
iso
amyl laurate
FL/FR
methyl decanoate
FL/FR
floral
rose oil (rosa damascena) bulgaria
FL/FR
fruity
iso
amyl acetoacetate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl heptanoate
FL/FR
hexyl phenyl acetate
FL/FR
2-
pentanone
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
fusel
green
cognac oil
FL/FR
white
cognac oil
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
herbal
clary sage concrete
FL/FR
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FLbrandy apple brandy
FLcognac
FLsaki
FLtequila
FLvermouth
FLwhiskey
FLwine
FLwine sherry wine
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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