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isopropyl acetate
General Material Information
| Preferred name | isopropyl acetate |
| Trivial Name | Isopropyl acetate |
| Short Description | acetic acid, isopropyl ester |
| Formula | C5 H10 O2 |
| CAS Number | 108-21-4 |
| FEMA Number | 2926 |
| Flavis Number | 9.003 |
| ECHA Number | 203-561-1 |
| FDA UNII | 1Y67AFK870 |
| Nikkaji Number | J2.862B |
| Beilstein Number | 1740761 |
| MDL | MFCD00008877 |
| COE Number | 193 |
| xLogP3-AA | 0.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 305 isopropyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 108-21-4 ; ISOPROPYL ACETATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| propan-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 108-21-4 |
| Pubchem (cid): | 7915 |
| Pubchem (sid): | 134972896 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31241 |
| FooDB: | FDB003268 |
| Export Tariff Code: | 2915.39.9050 |
| FDA Listing of Food Additive Status: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades or purity: 95-99+% •grades: 95%; 85 to 88% | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 102.13310241699 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.264 to 7.281 |
| Refractive Index | 1.376 to 1.379 @ 20 °C |
| Boiling Point | 88 to 89°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 60.665001 mmHg @ 25 °C |
| Vapor Density | 3.5 |
| Flash Point TCC Value | 16.67 °C TCC |
| logP (o/w) | 1.139 est |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 30900 mg/L @ 20 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Ethereal | |
| ethereal, fruity, sweet, banana, chemical | |
| General comment | At 10.00 % in dipropylene glycol. etherial fruity sweet banana chemical |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | Etherial, fruity, sweet, banana with a slight chemical nuance |
| Flavor Type: Ethereal | |
| ethereal, tutti frutti, fruity, apple, banana | |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | At 60.00 ppm. Etherial, tutti frutti, with a fruity apple and banana nuance |
| General comment | Ether tutti frutti chemical |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Banana , Currant , Grape , Honey , Peach , Pear , Pineapple , Raspberry , Saffron , Valerian |
| Flavoring purposes | Cheese , Chocolate cocoa , Valerian |
| Other purposes | Solvents |
| Cosmetic purposes | 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 66 - Repeated exposure may cause skin dryness or cracking. 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 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 29 - Do not empty into drains. 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M,F] 6750 mg/kg (Eder et al., 1982a) oral-rat LD50 3000 mg/kg (FDA, 1975a) oral-rabbit LD50 6945 mg/kg (Munch, 1972) oral-rabbit LD50 6946 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. intraperitoneal-rat LD > 174 mg/kg Journal of Surgical Research. Vol. 53, Pg. 572, 1992. oral-rat LD50 6750 mg/kg Union Carbide Data Sheet. Vol. 3/24/1970 | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 20 ml/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 50600 mg/m3/8 American Industrial Hygiene Association Journal. Vol. 20, Pg. 364, 1959. inhalation-human TCLo 200 ppm LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960. | |
Safety in use information
| Category: | |||
| extraction solvents, flavoring agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for isopropyl acetate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 35.00 (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: | - | 75.00000 | |
| beverages(nonalcoholic): | - | 16.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 17.00000 | |
| fruit ices: | - | 17.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 58.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):108-21-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7915 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1220 |
| WGK Germany:1 |
| propan-2-yl acetate |
| Chemidplus:0000108214 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:108-21-4 |