Articles:
| US Patents: | 3,931,270 - Process for producing 2-thia substituted 1,4 diones |
| US Patents: | 3,958,029 - Novel flavoring compositions and products comprising 2,5-dimethyl-3-thioisovaleryl furan |
prop-1-en-2-yl acetate
Notes:
Used as a food additive [EAFUS]
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 09-52400 ISOPROPENYL ACETATE
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): A0035 isopropenyl acetate >98.0%(GC)
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| CAS Number: | 108-22-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-562-7 | |
| FDA UNII: | 4AR9LAS337 | |
| Nikkaji Web: | J35.907F | |
| Beilstein Number: | 1280347 | |
| MDL: | MFCD00008709 | |
| XlogP3-AA: | 1.00 (est) | |
| Molecular Weight: | 100.11716000 | |
| Formula: | C5 H8 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1835 isopropenyl acetate |
| DG SANTE Food Flavourings: | 09.822 isopropenyl acetate |
| FEMA Number: | 4152 isopropenyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 108-22-5 ; ISOPROPENYL ACETATE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91700 to 0.92300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.630 to 7.680 |
| Refractive Index: | 1.39700 to 1.40300 @ 20.00 °C. |
| Boiling Point: | 94.00 to 95.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 42.505001 mmHg @ 25.00 °C. (est) |
| Flash Point: | 66.00 °F. TCC ( 18.89 °C. ) |
| logP (o/w): | 1.048 (est) |
| Soluble in: | |
| alcohol | |
| propylene glycol | |
| water, 9522 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | < 1 hour(s) at 100.00 % |
| ethereal acetic fruity sweet berry grape skin | |
| Odor Description: at 100.00 %. | ethereal acetic fruity sweet berry grape skin Luebke, William tgsc, (2006) |
| Flavor Type: ethereal | |
| ethereal grape skin sauerkraut green | |
| Taste Description: at 25.00 ppm in water. | ethereal lactate grape skin sauerkraut green Luebke, William tgsc, (2006) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| EMD Millipore |
| For experimental / research use only. |
| isoPropenyl Acetate |
| Parchem |
| isopropenyl acetate |
| Penta International |
| ISOPROPENYL ACETATE |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| isoPropenyl Acetate 99% |
| TCI AMERICA |
| For experimental / research use only. |
| isopropenyl acetate >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 11 - Highly flammable. R 36/37 - Irritating to eyes and respiratory system. S 02 - Keep out of the reach of children. S 09 - Keep container in a well-ventilated place. 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 3000 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949. | |
| 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 isopropenyl acetate usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 19.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 2300 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 10.00000 | 50.00000 | |
| beverages(nonalcoholic): | 5.00000 | 25.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 5.00000 | 25.00000 | |
| cheese: | 7.00000 | 35.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 5.00000 | 25.00000 | |
| confectionery froastings: | 10.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | 2.00000 | 10.00000 | |
| frozen dairy: | 7.00000 | 35.00000 | |
| fruit ices: | 10.00000 | 50.00000 | |
| gelatins / puddings: | 5.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | 20.00000 | 100.00000 | |
| hard candy: | - | - | |
| imitation dairy: | 7.00000 | 35.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | 2.00000 | 10.00000 | |
| milk products: | 7.00000 | 35.00000 | |
| nut products: | - | - | |
| other grains: | 5.00000 | 25.00000 | |
| poultry: | 2.00000 | 10.00000 | |
| processed fruits: | 7.00000 | 35.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | 10.00000 | 50.00000 | |
| soft candy: | - | - | |
| soups: | 5.00000 | 25.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 5.00000 | 25.00000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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): | |
| Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008) View page or View pdf | |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 108-22-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7916 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2403 |
| WGK Germany: | 1 |
| prop-1-en-2-yl acetate | |
| Chemidplus: | 0000108225 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | UD4200000 for cas# 108-22-5 |
References:
| prop-1-en-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 108-22-5 |
| Pubchem (cid): | 7916 |
| Pubchem (sid): | 134972897 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32351 |
| FooDB: | FDB009648 |
| Export Tariff Code: | 2915.39.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
Potential Uses:
| berry | FR | |
| cheese | FL | |
| fruit tropical fruit | FL | |
| vegetable | FL |
Occurrence (nature, food, other): note
| cheese Search PMC Picture |
Synonyms:
| acetic acid isopropenyl ester | |
| acetic acid, isopropenyl ester | |
| 1- | acetoxy-1-methyl ethylene |
| 1- | acetoxy-1-methylethylene |
| 2- | acetoxypropene |
| 2- | acetoxypropylene |
| 1- | methyl vinyl acetate |
| 1- | methylethenyl acetate |
| 1- | methylvinyl acetate |
| prop-1-en-2-yl acetate | |
| iso | propen-1-yl acetate |
| 1- | propen-2-ol acetate |
| 1- | propen-2-ol, acetate |
| 1- | propen-2-yl acetate |