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sorbyl acetate
General Material Information
| Preferred name | sorbyl acetate |
| Trivial Name | 2,4-Hexadien-1-ol, 1-acetate |
| Short Description | 2,4-hexadienyl acetate |
| Formula | C8 H12 O2 |
| CAS Number | 1516-17-2 |
| FEMA Number | 4132 |
| Flavis Number | 9.573 |
| ECHA Number | 216-163-8 |
| FDA UNII | 5416SJ1T8T |
| Nikkaji Number | J33.460J |
| MDL | MFCD00036521 |
| COE Number | 10675 |
| xLogP3-AA | 1.60 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1780 2,4-hexadienyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1516-17-2 ; 2,4-HEXADIENYL 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 |
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): | HMDB32311 |
| FooDB: | FDB009559 |
| Export Tariff Code: | 2915.39.9500 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| Bedoukian Research | BOC Sciences |
| Parchem | Penta International |
| Bedoukian Research, Inc. | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 140.18203735352 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.555 to 7.605 |
| Refractive Index | 1.47 to 1.476 @ 20 °C |
| Boiling Point | 192 to 193°C @ 760 mm Hg |
| Vapor Pressure | 0.662 mmHg @ 25 °C |
| Flash Point TCC Value | 71.11 °C TCC |
| logP (o/w) | 2.195 est |
| Solubility | |
| alcohol | Yes |
| triacetin | Yes |
| water, 747.7 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Green | |
| fresh, green, oily, herbal, pumpkin, parsley | |
| Odor strength | medium |
| Substantivity | 2 hour(s) at 100.00 % |
| Luebke, William tgsc, (2006) | At 100.00 %. fresh green oily herbal pumpkin fresh parsley |
| Flavor Type: Green | |
| fresh, green, herbal, soapy, metallic | |
| Luebke, William tgsc, (2006) | At 25.00 ppm in water. fresh green herbal soapy metallic |
| The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors. | Green |
Potential Uses
| Applications | |
| Odor purposes | Fruit, Parsley leaf, Passion fruit |
| Flavoring purposes | Green, Herbal, Mango, Parsley leaf, Pineapple, Pumpkin, Tropical, Vegetable, Wine |
| Other purposes | Watercress nasturtium |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36 - Irritating to eyes. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. 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 36/39 - Wear suitable clothing 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 4360 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 2520 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents and cosmetic fragrance agents | |||
| Recommendation for sorbyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | .0012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1700 (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: | 0.50000 | 10.00000 | |
| beverages(nonalcoholic): | 2.00000 | 20.00000 | |
| beverages(alcoholic): | 2.00000 | 20.00000 | |
| breakfast cereal: | 0.50000 | 10.00000 | |
| cheese: | - | - | |
| chewing gum: | 5.00000 | 25.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 5.00000 | 25.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 20.00000 | |
| fruit ices: | 1.00000 | 20.00000 | |
| gelatins / puddings: | 5.00000 | 25.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 10.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | - | - | |
| milk products: | 5.00000 | 25.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 5.00000 | 25.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 1.00000 | 10.00000 | |
| snack foods: | 5.00000 | 25.00000 | |
| soft candy: | 1.00000 | 10.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 1.00000 | 5.00000 | |
| 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): | 5.00000 | 25.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | - | - | |
| Edible ices, including sherbet and sorbet (03.0): | 4.00000 | 20.00000 | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | 5.00000 | 25.00000 | |
| Confectionery (05.0): | 5.00000 | 25.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 | |
| Bakery wares (07.0): | 5.00000 | 25.00000 | |
| Meat and meat products, including poultry and game (08.0): | - | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | - | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 20.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 | |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 3.00000 | 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): |
| Flavouring Group Evaluation 203: alpha,beta-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double bonds and with or without additional non-conjugated double bonds View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,ß-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 203, Revision 2 (FGE.203Rev2): a,ß-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,ß-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1516-17-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :15196 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:1 |
| hexa-2,4-dienyl acetate |
| Chemidplus:0001516172 |
| RTECS:AI0350000 for cas# 1516-17-2 |