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propylene glycol acetone ketal

General Material Information

Preferred name propylene glycol acetone ketal
Trivial Name 2,2,4-trimethyl-1,3-dioxolane
Short Description 2,2,4-trimethyl-1,3-oxacyclopentane
Formula C6 H12 O2
CAS Number 1193-11-9
CAS Number 1193-11-9 (R)
CAS Number 1193-11-9 (S)
FEMA Number 3441
Flavis Number 6.098
ECHA Number 214-766-0
FDA UNII Z0H09N14AR
Nikkaji Number J121.006H
MDL MFCD00090841
COE Number 11423
xLogP3-AA 0.90 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 929 2,2,4-trimethyl-1,3-oxacyclopentane
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1193-11-9 ; 2,2,4-TRIMETHYL-1,3-OXACYCLOPENTANE
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

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 116.16004180908
Specific gravity @ 25 °C
Pounds per Gallon 7.481 to 7.531
Refractive Index 1.393 to 1.398 @ 20 °C
Boiling Point 98 to 99°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 32.263 mmHg @ 25 °C
Flash Point TCC Value 18.89 °C TCC
logP (o/w) 0.999 est
Solubility
alcohol Yes
water, 111000 mg/L @ 18C (exp) Yes

Organoleptic Properties

Odor Type: Vegetable
earthy, ethereal, green, vegetable, asparagus, potato raw potato, tomato, tomato leaf, musty
Luebke, William tgsc, (2009) At 100.00 %. earthy ethereal green vegetable asparagus raw potato tomato tomato leaf
Mosciano, Gerard P&F 21, No. 3, 51, (1996) Earthy, green, vegetative, musty, raw potato and tomato
Flavor Type: Green
green, earthy, ethereal, vegetable, musty, tomato, potato raw potato, potato
Luebke, William tgsc, (2009) Green earthy ethereal vegetable musty tomato raw potato
Mosciano, Gerard P&F 21, No. 3, 51, (1996) At 25.00 ppm. Green, earthy, vegetative and musty with tomato and potato nuances

Occurrences

Potential Uses

Applications
Odor purposes Earth
Flavoring purposes Coffee, Green, Loganberry, Potato, Tomato, Vegetable

Safety Information

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
Click here to view publication 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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