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vanillylidene acetone
General Material Information
| Preferred name | vanillylidene acetone |
| Trivial Name | Dehydrozingerone |
| Short Description | 3-methoxy-4-hydroxybenzalacetone |
| Formula | C11 H12 O3 |
| CAS Number | 1080-12-2 |
| FEMA Number | 3738 |
| Flavis Number | 7.046 |
| ECHA Number | 214-096-9 |
| FDA UNII | 8CJX5I27B7 |
| Nikkaji Number | J136.532K |
| Beilstein Number | 2049660 |
| MDL | MFCD00012210 |
| COE Number | 691 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 732 vanillylidene acetone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1080-12-2 ; VANILLYLIDENE ACETONE |
| 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
| (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1080-12-2 |
| Pubchem (cid): | 5354238 |
| Pubchem (sid): | 134980612 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C17840 |
| HMDB (The Human Metabolome Database): | HMDB32591 |
| FooDB: | FDB010528 |
| Export Tariff Code: | 2909.50.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Penta International |
| Santa Cruz Biotechnology | Sigma-Aldrich |
| Synerzine | TCI AMERICA |
| Penta International Corporation | Synerzine, Inc. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 192.21423339844 |
| Melting Point | 129 to 130°C @ 760 mm Hg |
| Boiling Point | 344 to 345°C @ 760 mm Hg |
| Vapor Pressure | 2.5E-5 mmHg @ 25 °C |
| Flash Point TCC Value | 136.67 °C TCC |
| logP (o/w) | 1.401 est |
| Solubility | |
| alcohol | Yes |
| water, 3163 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Vanilla | |
| sweet, powdery, vanilla, creamy, balsamic | |
| General comment | At 100.00 %. sweet powdery vanilla creamy balsam |
| Mosciano, Gerard P&F 15, No. 1, 19, (1990) | Sweet, powdery vanilla with creamy balsamic nuances |
| Flavor Type: Balsamic | |
| balsamic, vanilla, sweet, aromatic, spicy | |
| Mosciano, Gerard P&F 15, No. 1, 19, (1990) | At 200.00 ppm. Balsamic vanilla, with sweet aromatic spicy nuance |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 22 - Do not breath dust. 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: | |
| oral-rat LD50 > 1000 mg/kg Indian Journal of Pharmaceutical Sciences. Vol. 43, Pg. 226, 1981. oral-mouse LDLo > 2000 mg/kg Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 708, 1987. intraperitoneal-mouse LD50 610 mg/kg Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 708, 1987. | |
| 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 vanillylidene acetone usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 8.00000 | |
| beverages(nonalcoholic): | - | 8.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 8.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 8.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | - | 8.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | 3.76000 | - | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | - | |
| Edible ices, including sherbet and sorbet (03.0): | 0.55000 | - | |
| Processed fruit (04.1): | - | - | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 6.06500 | - | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 30.00000 | - | |
| Bakery wares (07.0): | 4.12500 | - | |
| Meat and meat products, including poultry and game (08.0): | 6.88500 | - | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 10.00000 | - | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.40000 | - | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 1.48500 | - | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 1.00000 | - | |
| Ready-to-eat savouries (15.0): | - | - | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - | |
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 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (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 Flavouring Group Evaluation 215 (FGE.215): Seven a,ß-Unsaturated Cinnamyl Ketones from subgroup 3.2 of FGE.19 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 215 Revision 1 (FGE.215Rev1): seven a,ß-unsaturated cinnamyl ketones from subgroup 3.2 of FGE.19 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1080-12-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5354238 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (E)-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one |
| Chemidplus:0001080122 |
| RTECS:EM9960000 for cas# 1080-12-2 |