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propyl acetate
Propyl acetate is a fruity-smelling ester used as a flavor and fragrance agent, found naturally in various fruits and alcoholic beverages.
General Material Description
Propyl acetate, scientifically known as acetic acid, propyl ester, is an organic ester with the molecular formula C5H10O2. It appears as a clear, colorless liquid characterized by a distinctive fruity odor reminiscent of apple, banana, and honey notes. This compound is also referred to by synonyms such as 1-acetoxypropane and acetic acid 1-propyl ester. According to CHEBI:40116, propyl acetate is classified within esters commonly used for flavor and fragrance purposes. It naturally occurs in various fruits including apple, papaya, and pineapple, as well as in alcoholic beverages such as sake and brandy. Industrially, it is often sourced by esterification of acetic acid with propanol, making it available for use as a solvent and fragrance ingredient.
Occurrence, Applicability & Potential Uses
Propyl acetate is found in numerous natural sources such as apple fruit, brandy cherry brandy, cacao beans, cantaloupe petioles, figs, ginger, and various stone fruits including nectarine and plum. Its occurrence in these fruits and alcoholic products like sake and plum wine highlights its role in contributing to fruity and estery aromas. Beyond natural presence, propyl acetate is utilized extensively as a flavoring agent imparting nectarine and pear notes, and as a perfuming agent in cosmetic formulations. It also serves as a solvent in fragrance manufacturing. Regulatory standards such as FEMA (US) designate propyl acetate under FEMA number 2925, acknowledging its safety and specified use levels within flavor and fragrance applications.
Physico-Chemical Properties Summary
Propyl acetate possesses moderate volatility with a vapor pressure of approximately 35 mmHg at 25 °C, influencing its evaporation behavior in formulations. It has a boiling point between 101 and 102 °C at atmospheric pressure, and a refractive index ranging from 1.378 to 1.388 at 20 °C. Its specific gravity lies between 0.88 and 0.9 at 25 °C, indicating a density slightly less than water. The compound exhibits slight solubility in water but is readily soluble in alcohols, supporting its use in various hydro-alcoholic systems. The log P value of 1.24 suggests moderate lipophilicity, affecting its partitioning in formulations. Propyl acetate’s flash point is measured at 55 °F (13 °C), highlighting its flammable nature and the necessity for handling precautions. These properties collectively influence its volatility, solubility, and safety profile relevant to flavor and fragrance product development.
FAQ
What is propyl acetate and what are its common uses?
Propyl acetate is an organic ester known chemically as acetic acid, propyl ester. It has a fruity odor and is used primarily as a flavoring and fragrance agent due to its pleasant estery notes reminiscent of fruits like apple and banana. It also functions as a solvent in cosmetic and fragrance formulations. Naturally occurring in several fruits and alcoholic beverages, propyl acetate contributes to their characteristic aromas and flavors.
Where does propyl acetate occur naturally and how is it applied in industry?
This compound occurs naturally in diverse fruits such as apples, papayas, pineapples, and stone fruits including nectarines and plums. It is also present in alcoholic beverages like sake and brandy. Industrially, propyl acetate is employed in flavor and fragrance products to impart fruity notes. It acts as a perfuming agent as well as a solvent, its physicochemical properties allowing effective incorporation in various formulations.
What regulations govern the use and safety of propyl acetate?
Propyl acetate is recognized by regulatory organizations including FEMA (US) under number 2925, which stipulates its safety as a flavoring substance within specified use levels. The compound complies with IFRA (Global) guidelines recommending maximum usage concentrations to ensure consumer safety. Safety data indicate that propyl acetate is highly flammable and may irritate eyes, warranting appropriate handling measures. Exposures are controlled and monitored in cosmetic and food flavor applications according to international standards.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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Literature & References
| propyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 109-60-4 |
| Pubchem (cid): | 7997 |
| Pubchem (sid): | 134973841 |
| Pherobase: | View |
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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB34237 |
| FooDB: | FDB012549 |
| YMDB (Yeast Metabolome Database): | YMDB01390 |
| Export Tariff Code: | 2915.39.4510 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
General Material Information
| Preferred name | propyl acetate |
| Trivial Name | Propyl acetate |
| Short Description | acetic acid, propyl ester |
| Formula | C5 H10 O2 |
| CAS Number | 109-60-4 |
| FEMA Number | 2925 |
| Flavis Number | 9.002 |
| ECHA Number | 203-686-1 |
| FDA UNII | 4AWM8C91G6 |
| Nikkaji Number | J2.877K |
| Beilstein Number | 1740764 |
| MDL | MFCD00009372 |
| COE Number | 192 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 126 propyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 109-60-4 ; PROPYL ACETATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 102.13310241699 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.322 to 7.489 |
| Refractive Index | 1.378 to 1.388 @ 20 °C |
| Boiling Point | 101 to 102°C @ 760 mm Hg |
| Boiling Point | 32 to 33°C @ 50 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 35.223 mmHg @ 25 °C |
| Vapor Density | 3.5 |
| Flash Point TCC Value | 12.78 °C TCC |
| logP (o/w) | 1.24 |
| Solubility | |
| alcohol | Yes |
| water, 18900 mg/L @ 20 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| solvent, celery, fruity, fusel, raspberry, pear, pungent, sweet | |
| General comment | At 10.00 % in dipropylene glycol. solvent celery fruity fusel raspberry pear |
| Mosciano, Gerard P&F 21, No. 5, 49, (1996) | Solvent-like pungency, lifting, fusel, amyl alcohol, sweet and fruity |
| Flavor Type: Estery | |
| estery, fruity, ethereal, tutti frutti, banana, honey | |
| Mosciano, Gerard P&F 21, No. 5, 49, (1996) | At 10.00 ppm. Estry, fruity, etherial, tutti-frutti, banana and honey |
| General comment | Fruity, estry, etherial: honey, banana, tutti-fruitti |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Banana , Berry , Celery , Cucumber , Currant , Honey , Melon , Raspberry |
| Flavoring purposes | Necterine , Pear emperor pear |
| Other purposes | Solvents |
| Cosmetic purposes | Perfuming agents , Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 11 - Highly flammable. R 36 - Irritating to eyes. R 67 - Vapours may cause frowsiness and dizziness. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 29 - Do not empty into drains. S 33 - Take precautionary measures against static discharge. 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 9370 mg/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rabbit LD50 6640 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. oral-mouse LD50 8300 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intraperitoneal-mouse LD50 1420 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 8, 1961. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 20 ml/kg Union Carbide Data Sheet. Vol. 1/25/1965 subcutaneous-cat LDLo 3000 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. subcutaneous-guinea pig LDLo 3000 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. | |
| Inhalation Toxicity: | |
| inhalation-cat LCLo 38000 mg/m3/5H BEHAVIORAL: GENERAL ANESTHETIC BLOOD: OTHER CHANGES GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. inhalation-human TCLo 1000 mg/m3 SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: COUGH Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. inhalation-rat LCLo 8000 ppm/4H American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
Safety in use information
| Category: | |||
| cosmetic, 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 acetate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 180.00 (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 ppm | average maximum ppm | ||
| baked goods: | - | 14.00000 | |
| beverages(nonalcoholic): | - | 4.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 16.00000 | |
| fruit ices: | - | 16.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 12.00000 | |
| 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 |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| Risk Assessment of Food Contact Materials View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):109-60-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7997 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1276 |
| WGK Germany:1 |
| propyl acetate |
| Chemidplus:0000109604 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:109-60-4 |