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propyl heptanoate

Chemical Structure

General Material Information

Preferred name propyl heptanoate
Trivial Name Propyl heptanoate
Short Description heptanoic acid, propyl ester
Formula C10 H20 O2
CAS Number 7778-87-2
FEMA Number 2948
Flavis Number 9.095
ECHA Number 231-917-6
FDA UNII 43257OA2O9
Nikkaji Number J115.079K
MDL MFCD00048897
COE Number 367
xLogP3-AA 3.50 (est)
NMR Predictor External link
JECFA Food Flavoring 168 propyl heptanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7778-87-2 ; PROPYL HEPTANOATE
Synonyms
  • heptanoic acid propyl ester
  • heptanoic acid, propyl ester
  • propyl heptoate
  • propyl heptylate
  • N- propyl heptylate
  • propyl-heptanoate
  • NSC 23045

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):HMDB34457
FooDB:FDB012866
Export Tariff Code:2915.90.8000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon
Melting Point -64 to -63°C @ 760 mm Hg
Boiling Point 207 to 208°C @ 760 mm Hg
Vapor Pressure 0.233 mmHg @ 25 °C
Flash Point TCC Value 76.67 °C TCC
logP (o/w) 3.842 est
Solubility
alcohol Yes
water, 33.39 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, ripe, fruity, apple, pear, pineapple, grape, strawberry, winey, green, fermented, cognac, juicy, tutti frutti, juicy fruit
General comment At 100.00 %. sweet ripe fruity apple pear pineapple grape strawberry wine green
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 1.00 %. Sweet, ripe, fruity apple, pear, pineapple, grape and strawberry notes. It imparts a slightly fermented cognac nuance and has juicy tutti frutti and juicy fruit-like nuances
Flavor Type: Waxy
sweet, waxy, fruity, pineapple, pear, apple, citrus, green, grassy
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 5.00 - 15.00 ppm. Sweet, waxy, fruity pineapple, pear, apple and citrus notes with a slight green grassy nuance

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Coffee, Cognac, Pear, Pineapple, Wine
Flavoring purposes Grape white grape, Whiskey

Safety Information

Safety information

European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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 propyl heptanoate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.14 (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: -18.00000
beverages(nonalcoholic): -3.80000
beverages(alcoholic): -3.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.10000
fruit ices: -5.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -5.90000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :229377
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
propyl heptanoate
Chemidplus:0007778872