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propyl propionate

Chemical Structure

General Material Information

Preferred name propyl propionate
Trivial Name Propyl propionate
Short Description propionic acid, propyl ester
Formula C6 H12 O2
CAS Number 106-36-5
FEMA Number 2958
Flavis Number 9.122
ECHA Number 203-389-7
FDA UNII G09TRV00GK
Nikkaji Number J35.366C
Beilstein Number 1699993
MDL MFCD00009373
COE Number 403
NMR Predictor External link
JECFA Food Flavoring 142 propyl propionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 106-36-5 ; PROPYL PROPIONATE
Synonyms
  • propanoic acid propyl ester
  • propanoic acid, propyl ester
  • propionic acid N-propyl ester
  • propionic acid propyl ester
  • propionic acid, propyl ester
  • propyl propanoate
  • N- propyl propanoate
  • N- propyl propionate
  • nat. propyl propionate
  • propyl propionate (natural)
  • propyl propionate natural
  • N- propyl propionate natural
  • propyl-propionate
  • propylpropionate
  • N- propylpropionate
  • n-Propyl propionate
  • n-Propyl n-propanoate
  • NSC 72022

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB30059
FooDB:FDB001367
Export Tariff Code:2915.50.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 116.16004180908
Specific gravity @ 20 °C
Pounds per Gallon 7.348 to 7.364
Refractive Index 1.392 to 1.395 @ 20 °C
Melting Point -76 to -75°C @ 760 mm Hg
Boiling Point 122 to 124°C @ 760 mm Hg
Boiling Point 50 to 51°C @ 50 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 14.263 mmHg @ 25 °C
Vapor Density 4
Flash Point TCC Value 19.44 °C TCC
logP (o/w) 1.804 est
Solubility
alcohol Yes
water, 2745 mg/L @ 25 °C (est) Yes
water, 5300 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Chemical
sharp, chemical, pungent, sweet, fruity, pineapple, winey
General comment At 100.00 %. sharp chemical pungent sweet fruity pineapple winey
Mosciano, Gerard P&F 15, No. 2, 69, (1990) Sharp, chemical, pungent with sweet fruity lift notes
Flavor Type: Tropical
sweet, tropical, green, fruity
Mosciano, Gerard P&F 15, No. 2, 69, (1990) At 20.00 ppm. Sweet, lift, tropical green fruity notes

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.
Human Experience:
20 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 10331 mg/kg
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 175, 1992.

oral-rabbit LD50 3950 mg/kg
Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Dermal Toxicity:
skin-rabbit LD50 > 14128 mg/kg
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 177, 1992.

Inhalation Toxicity:
inhalation-mouse LC50 24000 mg/m3/2H
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 104, 1982.

inhalation-mammal (species unspecified) LC50 16900 mg/m3
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.

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 propyl propionate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 9.60 (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: -25.00000
beverages(nonalcoholic): -6.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -12.00000
fruit ices: -12.00000
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):106-36-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7803
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:1
propyl propanoate
Chemidplus:0000106365
RTECS:UF7100000 for cas# 106-36-5