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propyl butyrate

Chemical Structure

General Material Information

Preferred name propyl butyrate
Trivial Name Propyl butyrate
Short Description butyric acid, propyl ester
Formula C7 H14 O2
CAS Number 105-66-8
FEMA Number 2934
Flavis Number 9.04
ECHA Number 203-320-0
FDA UNII CW590750SQ
Nikkaji Number J3.236K
Beilstein Number 1745552
MDL MFCD00009396
COE Number 266
xLogP3-AA 1.80 (est)
NMR Predictor External link
JECFA Food Flavoring 150 propyl butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 105-66-8 ; PROPYL BUTYRATE
Synonyms
  • butanoic acid propyl ester
  • butanoic acid, 2-methylethyl ester
  • butanoic acid, propyl ester
  • butyric acid propyl ester
  • butyric acid, propyl ester
  • propyl butanoate
  • 1-propyl butyrate
  • N- propyl butyrate
  • nat. propyl butyrate
  • propyl butyrate (natural)
  • propyl butyrate natural
  • N- propyl butyrate natural
  • propyl N-butyrate
  • N- propyl N-butyrate
  • propyl-butyrate
  • N- propyl-N-butanoate
  • n-Propanol butyrate
  • n-Propyl butanoate

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):HMDB39618
FooDB:FDB019246
YMDB (Yeast Metabolome Database):YMDB01397
Export Tariff Code:2915.60.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Specific gravity @ 25 °C
Pounds per Gallon 7.239 to 7.314
Refractive Index 1.381 to 1.401 @ 20 °C
Boiling Point 142 to 143°C @ 760 mm Hg
Boiling Point 67 to 68°C @ 50 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 5.445 mmHg @ 25 °C
Vapor Density 4.4
Flash Point TCC Value 38.89 °C TCC
logP (o/w) 2.314 est
Solubility
alcohol Yes
water, 1620 mg/L @ 17C (exp) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, sweet, apricot, pineapple, rancid, sweaty, bubble gum, tutti frutti, ethereal
Odor strength medium
Substantivity < 1 hour(s) at 100.00 %
General comment At 100.00 %. fruity sweet apricot pineapple rancid sweaty
Mosciano, Gerard P&F 20, No. 3, 63, (1995) Fruity, sweet, bubble gum and tutti-frutti-like with a good etherial lift
Flavor Type: Fruity
sweet, fruity, tutti frutti, bubble gum, pineapple, green
Mosciano, Gerard P&F 20, No. 3, 63, (1995) At 20.00 ppm. Sweet, fruity, tutti-frutti, bubble gum and pineapple-like with a slight green nuance

Occurrences

Potential Uses

Applications
Odor purposes Apricot, Banana, Bubble gum, Peach, Pineapple, Plum, Prune, Strawberry, Valerian
Flavoring purposes Valerian
Cosmetic purposes Perfuming agents

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 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-rat LD50 15000 mg/kg
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-rabbit LD50 5729 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 propyl butyrate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 75.00 (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: -16.00000
beverages(nonalcoholic): -6.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.60000
fruit ices: -4.60000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -24.00000
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):105-66-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7770
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
propyl butanoate
Chemidplus:0000105668
RTECS:ET6200000 for cas# 105-66-8