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

isovaleraldehyde propylene glycol acetal
cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane

Sponsors

CAS Number: 18433-93-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-309-5
FDA UNII:TUG3U82JZS
Nikkaji Web:J266.170E
MDL:MFCD00238528
XlogP3-AA:2.00 (est)
Molecular Weight:144.21392000
Formula:C8 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Mixture of ((R/R), (R/S), (S/R) & (S/S) in equal ratios) (EFFA, 2010a).
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:1732 isovaleraldehyde propyleneglycol acetal
FLAVIS Number:06.135 (Old)
DG SANTE Food Flavourings:06.135 2-isobutyl-4-methyl-1,3-dioxolane
FEMA Number:4286 cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: CIS- AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.89800 to 0.90200 @ 20.00 °C.
Pounds per Gallon - (est).: 7.481 to 7.514
Refractive Index:1.41300 to 1.41700 @ 20.00 °C.
Boiling Point: 150.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:3.534000 mm/Hg @ 25.00 °C. (est)
Flash Point: 105.00 °F. TCC ( 40.56 °C. )
logP (o/w): 1.991 (est)
Soluble in:
 alcohol
 water, 1815 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
isobutyraldehyde 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
vanillin propylene glycol acetal
 
Organoleptic Properties:
Odor Type: ethereal
Odor Strength:medium
Substantivity:3 hour(s) at 100.00 %
sweet ethereal fruity tropical rummy sour ripe dairy buttery
Odor Description:at 100.00 %. sweet ethereal fruity tropical rummy sour ripe dairy buttery
Luebke, William tgsc, (2008)
Odor sample from: Sigma-Aldrich
Flavor Type: fruity
fruity ethereal tutti frutti tropical rummy ripe
Taste Description: fruity ethereal tutti frutti tropical rummy ripe
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Apple Flavor & Fragrance
Isovaleraldehyde PG Acetal
Beijing Lys Chemicals
2-isoButyl-4-methyl-1,3-dioxolane
BOC Sciences
For experimental / research use only.
isoValeraldehyde Propylene Glycol Acetal
Inoue Perfumery
ISOVALER ALDEHYDE PG ACETAL
Penta International
CIS & TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE
Penta International
ISOVALERALDEHYDE PROPYLENE GLYCOL ACETAL
Prodasynth
isoVALERALDEHYDE PG ACETAL
SUM OF ISOMERS > 97
Odor: FRUITY,FATTY,TROPICAL,RUM,ETHEREAL
Sigma-Aldrich
2-Isobutyl-4-methyl-1,3-dioxolane, mixture of isomers, ≥97%
Certified Food Grade Products
Synerzine
2-isoButyl-4-methyl-1,3-dioxolane
TCI AMERICA
For experimental / research use only.
2-Isobutyl-4-methyl-1,3-dioxolane >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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: flavor and fragrance agents
Recommendation for isovaleraldehyde propylene glycol acetal usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: 15.0000050.00000
beverages(nonalcoholic): 5.0000050.00000
beverages(alcoholic): 5.0000010.00000
breakfast cereal: 1.0000050.00000
cheese: 1.0000050.00000
chewing gum: 1.00000100.00000
condiments / relishes: 10.0000050.00000
confectionery froastings: 1.0000050.00000
egg products: 1.0000050.00000
fats / oils: 1.00000100.00000
fish products: --
frozen dairy: 5.0000020.00000
fruit ices: 0.5000020.00000
gelatins / puddings: 5.0000020.00000
granulated sugar: --
gravies: 1.0000050.00000
hard candy: 20.00000100.00000
imitation dairy: 1.00000100.00000
instant coffee / tea: 2.0000010.00000
jams / jellies: 0.1000020.00000
meat products: 1.00000100.00000
milk products: 5.0000050.00000
nut products: 1.00000100.00000
other grains: 1.0000050.00000
poultry: 1.0000050.00000
processed fruits: 0.1000020.00000
processed vegetables: 0.1000020.00000
reconstituted vegetables: --
seasonings / flavors: 1.00000100.00000
snack foods: 1.00000100.00000
soft candy: 10.00000100.00000
soups: 1.0000050.00000
sugar substitutes: --
sweet sauces: 0.8000020.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):18433-93-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86733
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
Chemidplus:0018433937
 
References:
 4-methyl-2-(2-methylpropyl)-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:18433-93-7
Pubchem (cid):86733
Pubchem (sid):135044619
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32203
FooDB:FDB009184
Export Tariff Code:2932.99.7000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alcoholic
fusel oil
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
chemical
iso
butyl formate
FL/FR
citrus
citral dimethyl acetal
FL/FR
(E)-4-
decenal
FL/FR
ethereal
acetal
FL/FR
butyl acetate
FL/FR
ethyl acetate
FL/FR
ethyl pyruvate
FL/FR
methyl acetate
FL/FR
iso
propyl acetate
FL/FR
iso
propyl formate
FL/FR
propyl valerate
FL/FR
fatty
5-
methyl-5-hexen-2-one
FL/FR
floral
acetal 318
FR
para-
anisyl butyrate
FL/FR
anisyl propanal / methyl anthranilate schiff's base
FR
blue lagoon fragrance
FR
butyl tiglate
FR
cassis specialty
FR
cuminyl acetaldehyde
FL/FR
black
currant bud concrete
FL/FR
ethyl 2-benzyl butyrate
FL/FR
ethyl linalyl acetate
FR
iso
eugenyl ethyl acetal
FR
farnesyl acetate
FL/FR
gardenia absolute
FR
hydroxycitronellal diethyl acetal
FL/FR
alpha-
ionone
FL/FR
nonan-3-yl acetate
FL/FR
ocean propanal / methyl anthranilate schiff's base
FR
phenethyl acetate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
rose butanoate
FL/FR
styralyl formate
FL/FR
styralyl isobutyrate
FL/FR
terpinyl isobutyrate
FL/FR
fruity
acetaldehyde diisoamyl acetal
FL/FR
allyl cyclohexyl propionate
FL/FR
amyl acetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl acetate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl propionate
FL/FR
iso
butyl valerate
FL/FR
neo
caspirene
FL/FR
dimethyl succinate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl isobutyrate
FL/FR
ethyl propionate
FL/FR
(E)-
ethyl tiglate
FL/FR
geranyl ethyl ether
FL/FR
heptyl butyrate
FL/FR
kiwi specialty
FR
lychee fragrance
FR
methyl 2-methyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl cyclohexyl acetate
FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl propionate
FL/FR
peach pivalate
FR
propyl acetate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl propionate
FL/FR
vanilla carboxylate
FL/FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
butyl benzyl carbinol
FL/FR
chrysanthemum oxide
FL/FR
cognac heptanone
FL/FR
decanal propylene glycol acetal
FL/FR
earthy acetal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum specialty
FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl hexanoate
FL/FR
hyacinth absolute
FL/FR
ivy carbaldehyde / methyl anthranilate schiff's base
FR
methyl cyclocitrone (IFF)
FR
4-
methyl-4-phenyl pentanone
FR
octyl oxyacetaldehyde
FR
(Z)-2-
penten-1-ol
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde
FL/FR
herbal
barosma betulina leaf oil
FL/FR
clary sage absolute
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
viridiflorol
FL/FR
marine
marine hexane
FR
sulfurous
buchu mercaptan
FL/FR
lychee mercaptan acetate
FL/FR
passiflora acetate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
4-
tropical oxathiane
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
3-
nonen-4-olide
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
passion fruit fragrance
FR
pina colada fragrance
FR
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
acetaldehyde diisoamyl acetal
FL/FR
butyl methyl ketone
FL
neo
caspirene
FL/FR
decanal propylene glycol acetal
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
earthy acetal
FL/FR
ethyl 2-(methyl thio) acetate
FL
ethyl 2-benzyl butyrate
FL/FR
ethyl 2-methyl-2-(methyl thio) propionate
FL
geranyl ethyl ether
FL/FR
2-
heptenoic acid
FL
hyacinth absolute
FL/FR
methyl 2-(methyl thio) acetate
FL
2-
methyl butyl isobutyrate
FL
2-
methyl butyl propionate
FL
S-(
methyl thio) hexanoate
FL
(E)-6-
methyl-3-hepten-2-one
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonen-4-olide
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
propyl valerate
FL/FR
sorbyl propionate
FL
styralyl formate
FL/FR
styralyl isobutyrate
FL/FR
terpinyl isobutyrate
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
viridiflorol
FL/FR
allyl thiohexanoate
FL
iso
amyl 3-(2-furan) propionate
FL/FR
amber
amber
iso
butyl benzyl carbinol
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
iso
propyl cinnamate
FL/FR
caramellic
strawberry furanone acetate
FL/FR
cheesy
methyl ketones
FL
citrus
citral dimethyl acetal
FL/FR
cognac heptanone
FL/FR
creamy
triacetin
FL
cucumber
2-
ethyl octine carbonate
FL
estery
propyl acetate
FL/FR
ethereal
butyl acetate
FL/FR
ethyl acetate
FL/FR
ethyl isobutyrate
FL/FR
methyl acetate
FL/FR
methyl isobutyrate
FL/FR
5-
methyl-5-hexen-2-one
FL/FR
iso
propyl acetate
FL/FR
floral
farnesyl acetate
FL/FR
alpha-
ionone
FL/FR
rhodinyl butyrate
FL/FR
rhodinyl isobutyrate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
amyl acetate
FL/FR
amyl formate
FL/FR
amyl heptanoate
FL/FR
benzyl methyl ether
FL/FR
berry pentadienoate
FL/FR
iso
butyl acetate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl propionate
FL/FR
iso
butyl valerate
FL/FR
black
currant bud concrete
FL/FR
dimethyl succinate
FL/FR
2-
ethyl butyl acetate
FL/FR
ethyl propionate
FL/FR
(E)-
ethyl tiglate
FL/FR
fusel oil
FL/FR
hexyl 2-methyl-3-pentenoate
FL/FR
hexyl hexanoate
FL/FR
3-
mercaptohexyl hexanoate
FL
methyl 2-methyl butyrate
FL/FR
2-
methyl allyl butyrate
FL
methyl hexanoate
FL/FR
methyl propionate
FL/FR
passion fruit distillates
FL
iso
propyl formate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl propionate
FL/FR
rose butanoate
FL/FR
4-
tropical oxathiane
FL/FR
vanilla carboxylate
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
butyl 2-butenoate
FL/FR
chrysanthemum oxide
FL/FR
clary sage absolute
FL/FR
cuminyl acetaldehyde
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
2-
ethyl butyraldehyde
FL
cis-
galbanum oxathiane
FL/FR
heptanal dimethyl acetal
FL/FR
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
methyl 2-undecynoate
FL
(Z)-2-
penten-1-ol
FL/FR
1-
penten-3-ol
FL/FR
phenoxyethyl isobutyrate
FL/FR
phenyl acetaldehyde diisobutyl acetal
FL/FR
herbal
barosma betulina leaf oil
FL/FR
buchu oil fractions
FL
honey
phenethyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
juicy
lychee mercaptan acetate
FL/FR
melon
hydroxycitronellal diethyl acetal
FL/FR
nutty
acetal
FL/FR
pungent
acetaldehyde
FL
ripe
(E)-4-
decenal
FL/FR
rummy
iso
butyl formate
FL/FR
ethyl pyruvate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
anacardium occidentale fruit puree
FL
3-
mercaptohexyl butyrate
FL
passiflora acetate
FL/FR
passiflora edulis fruit extract
FL/FR
passiflora edulis fruit water
FL/FR
vegetable
2-
octen-4-one
FL/FR
 
Potential Uses:
FLcaramel
FRfloral
FRgreen
 
Occurrence (nature, food, other):note
 wine port wine - up to 2 mg/kg
Search Picture
 
Synonyms:
(Z+E)-2-isobutyl-4-methyl-1,3-dioxolane
2-isobutyl-4-methyl-1,3-dioxolane
cis & trans-2-isobutyl-4-methyl-1,3-dioxolane
cis- and trans-2-isobutyl-4-methyl-1,3-dioxolane
1,3-dioxolane, 4-methyl-2-(2-methylpropyl)-
4-methyl-2-(2-methyl propyl)-1,3-dioxolane
4-methyl-2-(2-methylpropyl)-1,3-dioxolane
isovaler aldehyde PG acetal
isovaleraldehyde PG acetal
isovaleraldehyde propyleneglycol acetal
isovaleric aldehyde propylene glycol acetal
isovaleric aldehyde propyleneglycol acetal
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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