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

propylene glycol acetone ketal
2,2,4-trimethyl-1,3-oxacyclopentane

Supplier Sponsors

Name:2,2,4-trimethyl-1,3-dioxolane
CAS Number: 1193-11-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-766-0
FDA UNII:Z0H09N14AR
Nikkaji Web:J121.006H
MDL:MFCD00090841
CoE Number:11423
XlogP3-AA:0.90 (est)
Molecular Weight:116.16004000
Formula:C6 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Name:(4R)-2,2,4-trimethyl-1,3-dioxolane
CAS Number: 1193-11-9 (R)Picture of molecule3D/inchi
XlogP3-AA:0.90 (est)
Molecular Weight:116.16004000
Formula:C6 H12 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:(4S)-2,2,4-trimethyl-1,3-dioxolane
CAS Number: 1193-11-9 (S)Picture of molecule3D/inchi
Nikkaji Web:J760.737G
XlogP3-AA:0.90 (est)
Molecular Weight:116.16004000
Formula:C6 H12 O2
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:929 2,2,4-trimethyl-1,3-oxacyclopentane
FLAVIS Number:06.098 (Old)
DG SANTE Food Flavourings:06.098 2,2,4-trimethyl-1,3-dioxolane
FEMA Number:3441 2,2,4-trimethyl-1,3-oxacyclopentane
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1193-11-9 ; 2,2,4-TRIMETHYL-1,3-OXACYCLOPENTANE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89900 to 0.90500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.481 to 7.531
Refractive Index:1.39300 to 1.39800 @ 20.00 °C.
Boiling Point: 98.00 to 99.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:32.263000 mmHg @ 25.00 °C. (est)
Flash Point: 66.00 °F. TCC ( 18.89 °C. )
logP (o/w): 0.999 (est)
Soluble in:
 alcohol
 water, 111000 mg/L @ 18C (exp)
 
Organoleptic Properties:
Odor Type: vegetable
Odor Strength:medium
earthy ethereal green vegetable asparagus potato raw potato tomato tomato leaf
Odor Description:at 100.00 %. earthy ethereal green vegetable asparagus raw potato tomato tomato leaf
Odor sample from: R C Treatt and Co Ltd
earthy green vegetable musty potato raw potato tomato
Odor Description:Earthy, green, vegetative, musty, raw potato and tomato
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
Flavor Type: green
green earthy ethereal vegetable musty tomato potato raw potato
Taste Description: green earthy ethereal vegetable musty tomato raw potato
green earthy vegetable musty tomato potato
Taste Description: at 25.00 ppm. Green, earthy, vegetative and musty with tomato and potato nuances
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
2,2,4-Trimethyl-1,3-dioxolane
BOC Sciences
For experimental / research use only.
2,2,4-Trimethyl-1,3-dioxolane
Endeavour Specialty Chemicals
2,2,4-Trimethyl-1,3-dioxolane 98% F&F
Speciality Chemical Product Groups
Kingchem Laboratories
2,2,4 TRIMETHYL 1,3 DIOXOLANE
Odor: Fruity green
M&U International
2,2,4-TRIMETHYL-1,3-DIOXOLANE, Kosher
Penta International
2,2,4-TRIMETHYL-1,3-DIOXOLANE
R C Treatt & Co Ltd
2,2,4-Trimethyl-1,3-dioxolane
Halal, Kosher
Robinson Brothers
2,2,4-Trimethyl-1,3-dioxolane F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,2,4-Trimethyl-1,3-dioxolane
Synerzine
Acetone Propylene Glycol Acetal
TCI AMERICA
For experimental / research use only.
2,2,4-Trimethyl-1,3-dioxolane >98.0%(GC)
WholeChem
2,2,4-Trimethyl-1,3-dioxolane
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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 propylene glycol acetone ketal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/day)
Structure Class: III
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: 8
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -4.00000
beverages(alcoholic): -1.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -4.00000
confectionery froastings: -6.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.00000
fruit ices: -4.00000
gelatins / puddings: -4.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: -2.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62384
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1091
WGK Germany:1
2,2,4-trimethyl-1,3-dioxolane
Chemidplus:0001193119
(4R)-2,2,4-trimethyl-1,3-dioxolane
(4S)-2,2,4-trimethyl-1,3-dioxolane
 
References:
 2,2,4-trimethyl-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1193-11-9
Pubchem (cid):62384
Pubchem (sid):135020458
 (4R)-2,2,4-trimethyl-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1193-11-9
Pubchem (cid):6997319
Pubchem (sid):43599180
 (4S)-2,2,4-trimethyl-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1193-11-9
Pubchem (cid):6992243
Pubchem (sid):43594801
 
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):HMDB37266
FooDB:FDB016283
Export Tariff Code:2932.19.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
gentiana lutea root extract
FL/FR
balsamic
balsamic
bornyl formate
FL/FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
chocolate
cocoa hexenal
FL/FR
citrus
2-
heptanol
FL/FR
methyl heptenone
FL/FR
coconut
delta-
heptalactone
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
1-
nonen-3-ol
FL/FR
nutty pyrazine
FL/FR
1-
octen-3-ol
FL/FR
ethereal
acetal
FL/FR
cyclohexyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl formate
FL/FR
1-
hexen-3-ol
FL/FR
2-
methyl valeraldehyde
FL/FR
propyl formate
FL/FR
floral
hexyl nonanoate
FL/FR
linalool oxide
FL/FR
octyl acetate
FL/FR
2-
phenyl propyl acetate
FL/FR
(R)-
styralyl alcohol
FL/FR
ylang ylang flower oil III
FL/FR
fruity
acetaldehyde dihexyl acetal
FL/FR
acetaldehyde diisoamyl acetal
FL/FR
amyl formate
FL/FR
ethyl (Z)-4-heptenoate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
2-
heptyl butyrate
FL/FR
(Z)-3-
octen-1-ol
FL/FR
2-
pentyl furan
FL/FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
2-iso
butyl pyrazine
FL/FR
2-sec-
butyl-3-methoxypyrazine
FL/FR
cognac heptanone
FL/FR
cucumber essence
FL/FR
cumin acetaldehyde
FL/FR
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
ferula galbaniflua gum extract
FL/FR
geranium absolute
FL/FR
geranium thiazole
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-4-
heptenal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl acetoacetate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
4-
hexenol
FL/FR
octanal dimethyl acetal
FL/FR
2-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
1-
phenyl-2-pentanol
FL/FR
iso
propyl decanoate
FL/FR
rose furan epoxide
FL/FR
tiglaldehyde
FL/FR
herbal
3-
butylidene phthalide
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
1-
octen-3-yl acetate
FL/FR
2-
pentyl acetate
FL/FR
thymyl methyl ether
FL/FR
licorice
glycyrrhiza glabra root extract
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
2-
methyl-3-propyl pyrazine
FL/FR
spicy
cumin seed oil
FL/FR
sulfurous
grapefruit menthane
FL/FR
3-(
methyl thio) hexanol
FL/FR
vegetable
methional
FL/FR
waxy
octyl isobutyrate
FL/FR
propyl decanoate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
acetaldehyde 1,3-octane diol acetal
FL
acetaldehyde diisoamyl acetal
FL/FR
(E)-
aconitic acid
FL
benzyl disulfide
FL
bornyl formate
FL/FR
2-iso
butyl pyrazine
FL/FR
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
ethyl 4-pentenoate
FL/FR
2-
ethyl-3-methoxypyrazine
FL/FR
2-
ethyl-4,5-dimethyl oxazole
FL
green pea pyrazine
FL
(Z)-3-
hepten-1-ol
FL/FR
2-
heptyl butyrate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl acetoacetate
FL/FR
(E)-4-
hexenal
FL
hexyl nonanoate
FL/FR
methionyl acetate
FL
2-
methoxy-3-propyl pyrazine
FL
methyl 2-(methyl thio) acetate
FL
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
2-
methyl-6-propoxypyrazine
FL
2-
phenyl propyl acetate
FL/FR
propyl decanoate
FL/FR
iso
propyl decanoate
FL/FR
2-iso
propyl pyridine
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
rose furan epoxide
FL/FR
(R)-
styralyl alcohol
FL/FR
alliaceous
alliaceous
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
celery
3-
butylidene phthalide
FL/FR
citrus
cognac heptanone
FL/FR
cocoa
cocoa hexenal
FL/FR
creamy
octyl isobutyrate
FL/FR
dairy
2-
pentyl acetate
FL/FR
earthy
2-
methyl-3-propyl pyrazine
FL/FR
1-
nonen-3-ol
FL/FR
panax quinquefolius root extract
FL
ethereal
ethyl formate
FL/FR
fatty
(Z)-3-
octen-1-ol
FL/FR
2-
octen-1-ol
FL/FR
floral
ylang ylang flower oil III
FL/FR
fruity
amyl formate
FL/FR
ethyl (Z)-4-heptenoate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
2-
heptanol
FL/FR
1-
phenyl-2-pentanol
FL/FR
propyl formate
FL/FR
tiglaldehyde
FL/FR
tropical trithiane
FL/FR
green
acetaldehyde dihexyl acetal
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
cucumber essence
FL/FR
cumin acetaldehyde
FL/FR
cyclohexyl formate
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
2-
ethyl butyraldehyde
FL
ferula galbaniflua gum extract
FL/FR
gentiana lutea root extract
FL/FR
geranium absolute
FL/FR
geranium thiazole
FL/FR
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(Z)-2-
hexen-1-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
1-
hexen-3-ol
FL/FR
horseradish oil
FL
linalool oxide
FL/FR
methyl heptenone
FL/FR
3-
methyl pyridine
FL
3-(5-
methyl-2-furyl) butanal
FL
2,4-
octadienal
FL
octanal dimethyl acetal
FL/FR
1-
octen-3-yl acetate
FL/FR
1-
penten-3-ol
FL/FR
2-
pentyl furan
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
lactonic
delta-
heptalactone
FL/FR
licorice
glycyrrhiza glabra root extract
FL/FR
metallic
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
milky
dextro,laevo-3-(
methyl thio) butanone
FL
moldy
strawberry furanone methyl ether
FL/FR
mushroom
1-
octen-3-ol
FL/FR
musty
2-
ethoxythiazole
FL
thymyl methyl ether
FL/FR
nutty
acetal
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
aconitic acid
FL
3,6-
cocoa pyrazine
FL/FR
2-
ethyl-6-methyl pyrazine
FL
nutty pyrazine
FL/FR
onion
methyl propyl disulfide
FL
spicy
cumin seed oil
FL/FR
sulfurous
grapefruit menthane
FL/FR
methyl benzyl disulfide
FL
potato butanone
FL
tomato
methional
FL/FR
vegetable
2-sec-
butyl-3-methoxypyrazine
FL/FR
2-
methyl valeraldehyde
FL/FR
2-
octen-4-one
FL/FR
potato butyraldehyde
FL
waxy
(Z)-6-
nonen-1-ol
FL/FR
octyl acetate
FL/FR
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLcoffee
FRearth
FLgreen
FLloganberry
FLpotato
FLtomato
FLvegetable
 
Occurrence (nature, food, other):note
 cowberry
Search PMC Picture
 lingonberry
Search Trop Picture
 tomato
Search Trop Picture
 
Synonyms:
 acetone P.G. acetal
 acetone propylene glycol acetal
 acetone propylene glycol ketal
1,3-dioxolane, 2,2,4-trimethyl-
2,2,4 trimethyl 1,3 dioxolane
2,2,4-trimethyl-1,3-dioxacyclopentane
2,2,4-trimethyl-1,3-dioxolane
2,2,4-trimethyl-1,3-oxacyclopentane
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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