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isopropyl propionate

Chemical Structure

General Material Information

Preferred name isopropyl propionate
Trivial Name Isopropyl propionate
Short Description propanoic acid, 1-methylethyl ester
Formula C6 H12 O2
CAS Number 637-78-5
FEMA Number 2959
Flavis Number 9.123
ECHA Number 211-300-8
FDA UNII NGB0AK08T9
Nikkaji Number J47.182H
MDL MFCD00051553
COE Number 404
xLogP3-AA 1.40 (est)
NMR Predictor External link
JECFA Food Flavoring 306 isopropyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 637-78-5 ; ISOPROPYL PROPIONATE
Synonyms
  • 1-methyl ethyl propanoate
  • methylethyl propanoate
  • 1-methylethyl propanoate
  • propan-2-yl propanoate
  • propan-2-ylpropanoat
  • propanoic acid 1-methyl ethyl ester
  • propanoic acid 1-methylethyl ester
  • propanoic acid, 1-methylethyl ester
  • propionic acid isopropyl ester
  • iso propyl propanoate
  • Propionic acid, isopropyl ester
  • iso-Propyl propionate
  • 1-Methylethyl propanoate
  • 2-Propyl propionate
  • 2-Propyl propanoate

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):HMDB30056
FooDB:FDB001363
Export Tariff Code:2915.50.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 116.16004180908
Specific gravity @ 20 °C
Pounds per Gallon 7.223 to 7.239
Refractive Index 1.385 to 1.387 @ 20 °C
Boiling Point 108 to 111°C @ 760 mm Hg
Vapor Pressure 21.591 mmHg @ 25 °C
Flash Point TCC Value 16.67 °C TCC
logP (o/w) 1.648 est
Solubility
alcohol Yes
water, 5950 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, ethereal, sweet, pineapple, banana
General comment At 100.00 %. fruity ether sweet pineapple banana
Mosciano, Gerard P&F 16, No. 1, 31, (1991) Fruity etherial, sweet with pineapple & banana nuances
Flavor Type: Fruity
fruity, berry, bubble gum
Mosciano, Gerard P&F 16, No. 1, 31, (1991) At 20.00 ppm. Fruity, berry with a slight bubble gum nuance

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20 - Harmful by inhalation.
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 37/39 - Wear suitable 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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isopropyl propionate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 30.0000050.00000
beverages(nonalcoholic): -9.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.0000050.00000
fruit ices: 5.0000050.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 40.0000050.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):637-78-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12508
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2409
WGK Germany:1
propan-2-yl propanoate
Chemidplus:0000637785
EPA/NOAA CAMEO:hazardous materials