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isobutyl propionate

Chemical Structure

General Material Information

Preferred name isobutyl propionate
Trivial Name Isobutyl propionate
Short Description propanoic acid, isobutyl ester
Formula C7 H14 O2
CAS Number 540-42-1
FEMA Number 2212
Flavis Number 9.125
ECHA Number 208-746-0
FDA UNII 8Q382JSY9T
Nikkaji Number J47.187I
Beilstein Number 1745554
MDL MFCD00009307
COE Number 406
NMR Predictor External link
JECFA Food Flavoring 148 isobutyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 540-42-1 ; ISOBUTYL PROPIONATE
Synonyms
  • iso butyl propanoate
  • iso butyl propionate (natural)
  • iso butyl propionate natural
  • iso- butyl-propionate
  • 2-methyl propyl propanoate
  • 2-methyl propyl propionate
  • 2-methyl-1-propyl propanoate
  • 2-methylpropyl propanoate
  • 2-methylpropyl propionate
  • propanoic acid 2-methyl propyl ester
  • propanoic acid 2-methylpropyl ester
  • propanoic acid, 2-methylpropyl ester
  • propanoic acid, isobutyl ester
  • propionic acid isobutyl ester
  • propionic acid, isobutyl ester
  • 2-methylpropyl propanoate
  • 2-Methylpropyl propionate
  • Isobutyl propanoate
  • NSC 8450

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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB34239
FooDB:FDB012551
Export Tariff Code:2915.39.4550
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Melting Point -71 to -70°C @ 760 mm Hg
Boiling Point 66 to 67°C @ 60 mm Hg
Vapor Pressure 6.47 mmHg @ 25 °C
Vapor Density 4.1
Flash Point TCC Value 26.67 °C TCC
logP (o/w) 2.158 est
Solubility
alcohol Yes
water, 1700 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, green, ethereal, sweet, tutti frutti, banana, rummy, pungent, bubble gum, estery, tropical
General comment At 100.00 %. fruity green ether sweet tutti frutti banana
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 1.00 %. Fruity, sweet, rummy, pungent, bubblegum estry with a tropical nuance
Flavor Type: Fruity
sweet, fruity, banana, tutti frutti, rummy
Mosciano, Gerard P&F 24, No. 2, 49, (1999) At 10.00 ppm. Sweet, fruity, banana, tutti frutti, with rummy nuances
General comment Fruity, sweet: tutti-fruitti, banana, rum

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 36 - Wear suitable protective clothing.
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:
oral-rabbit LD50 5599 mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

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 isobutyl propionate usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 12.00 (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: -35.00000
beverages(nonalcoholic): -5.40000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.20000
fruit ices: -4.20000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -25.00000
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):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):540-42-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10895
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2394
WGK Germany:2
2-methylpropyl propanoate
Chemidplus:0000540421
EPA/NOAA CAMEO:hazardous materials
RTECS:UF4930000 for cas# 540-42-1