We have found
46587
results matching your criteria.
Please wait while we search...
(E)-geranyl acetone
General Material Information
| Preferred name | (E)-geranyl acetone |
| Trivial Name | Geranylacetone |
| Short Description | (E)-geranylacetone |
| Formula | C13 H22 O |
| CAS Number | 3796-70-1 |
| FEMA Number | 3542 |
| ECHA Number | 223-269-8 |
| FDA UNII | 9B7RY79U9Z |
| Nikkaji Number | J24.231D |
| Beilstein Number | 1722277 |
| MDL | MFCD00008910 |
| COE Number | 11088 |
| xLogP3-AA | 3.70 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1122 6,10-dimethyl-5,9-undecadien-2-one |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 3796-70-1 ; GERANYL 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
| (5E)-6,10-dimethylundeca-5,9-dien-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3796-70-1 |
| Pubchem (cid): | 1549778 |
| Pubchem (sid): | 134984890 |
| Flavornet: | 3796-70-1 |
| 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 |
| CHEBI: | View |
| KEGG (GenomeNet): | C13297 |
| HMDB (The Human Metabolome Database): | HMDB31846 |
| FooDB: | FDB008529 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 194.31753540039 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.164 to 7.214 |
| Refractive Index | 1.463 to 1.471 @ 20 °C |
| Boiling Point | 92 to 93°C @ 2.5 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.016 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 4.129 est |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 8.867 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| fresh, green, fruity, waxy, rose, woody, magnolia, tropical, pear, guava | |
| Odor strength | medium |
| Substantivity | 192 hour(s) at 100.00 % |
| Luebke, William tgsc, (2007) | At 100.00 %. fresh green fruity waxy rose woody magnolia tropical |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | Green, fruity, waxy, woody, pear, rosy and guava with tropical nuances |
| Flavor Type: Floral | |
| floral, fruity, green, tropical, pear, banana, ylang, fatty, apple | |
| Luebke, William tgsc, (2007) | Floral fruity green tropical pear banana ylang fatty |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | At 12.00 ppm. Floral, fruity, fatty, green, pear, apple and banana with tropical nuances |
| Used in cherry, stone fruits, pear, apple, peach, raspberry, coconut and tomato flavors. | Green fruity |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Apple, Apple blossom, Apple green apple, Apricot, Banana, Bergamot, Berry, Butterscotch, Cherry, Citrus, Coriander, Currant black currant, Elder flower, Fig, Floral, Fruit, Gardenia, Geranium, Gooseberry, Grape, Grapefruit, Green, Green grass, Herbal, Honey, Jasmin, Lavender, Leather, Lemon, Lemongrass, Lily of the valley, Lime, Magnolia, Mandarin, Mango, Melon, Neroli, Nutmeg, Orange blossom, Oriental, Passion fruit, Peach, Pear, Petitgrain, Petitgrain lemon petitgrain, Pina colada, Pineapple, Plum, Raspberry, Rose, Rose moss rose, Rose red rose, Rose tea rose, Saffron, Sassafras, Spice, Stephanotis, Tangerine, Tuberose, Wallflower, Woody, Ylang ylang |
| Flavoring purposes | Coriander, Petitgrain lemon petitgrain, Tea, Tomato, Tropical |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 38 - Irritating to skin. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Serious eye damage/eye irritation (Category 2A), H320 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Chronic aquatic toxicity (Category 2), H411 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |   |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H320 - Causes eye irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation H411 - Toxic to aquatic life with long lasting effects | |
| Precautionary statement(s) | |
| P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P391 - Collect spillage. Hazardous to the aquatic environment P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| 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 (E)-geranyl acetone usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 41.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 2.00 (μg/capita/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| 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: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 10.00000 | |
| 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: | - | 10.00000 | |
| 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 |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 (2012) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3796-70-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :1549778 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (5E)-6,10-dimethylundeca-5,9-dien-2-one |
| Chemidplus:0003796701 |
| RTECS:YQ1190000 for cas# 3796-70-1 |