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cinnamyl isovalerate
General Material Information
| Preferred name | cinnamyl isovalerate |
| Trivial Name | Cinnamyl isovalerate |
| Short Description | 3-phenyl-2-propenyl 3-methyl butanoate |
| Formula | C14 H18 O2 |
| CAS Number | 140-27-2 |
| FEMA Number | 2302 |
| Flavis Number | 9.459 |
| ECHA Number | 205-407-9 |
| FDA UNII | 5JHK9Y2XRM |
| MDL | MFCD00048351 |
| COE Number | 454 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 654 cinnamyl isovalerate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 140-27-2 ; CINNAMYL ISOVALERATE |
| 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): | HMDB41318 |
| FooDB: | FDB021237 |
| Export Tariff Code: | 2916.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 218.29585266113 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.254 to 8.288 |
| Refractive Index | 1.518 to 1.524 @ 20 °C |
| Boiling Point | 313 to 315°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.00026 mmHg @ 25 °C |
| Vapor Density | 7.5 |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.013 est |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| water, 8.282 mg/L @ 25 °C (est) | Yes |
| water | No |
| propylene glycol | No |
| glycerin | No |
Organoleptic Properties
| Odor Type: Spicy | |
| sweet, spicy, melon, cherry, apple green apple, sour, fermented, winey, yeasty, woody, fruity | |
| Odor strength | medium |
| Substantivity | 100 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 100.00 %. sweet spice melon cherry green apple |
| Mosciano, Gerard P&F 25, No. 4, 71, (2000) | At 1.00 %. Sour, fermented and winey, yeasty with woody and fruity nuances |
| Flavor Type: Fruity | |
| fruity, winey, fermented, pear, honey, blueberry | |
| Mosciano, Gerard P&F 25, No. 4, 71, (2000) | At 1.00 - 10.00 ppm. Fruity, winey, fermented with pear, honey blueberry nuances |
| General comment | APPLE-LIKE |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Blueberry , Cherry , Grape , Maple , Melon , Peach , Pear , Pineapple , Plum , Rose , Rose tea rose , Spice , Strawberry |
| Flavoring purposes | Bread , Pepper tabasco pepper , Walnut |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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. | |
| Human Experience: | |
| 2 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 857, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 857, 1974. | |
| 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 | |||
| maximum skin levels for fine fragrances: | |||
| 0.0020 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2001) | |||
| Recommendation for cinnamyl isovalerate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.0300 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0008 mg/kg/day (IFRA, 2001) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.90 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 8.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 3.60000 | |
| beverages(nonalcoholic): | - | 2.20000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 19.00000 | 30.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.60000 | |
| fruit ices: | - | 2.60000 | |
| gelatins / puddings: | - | 11.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.10000 | |
| 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): |
| Flavouring Group Evaluation 214: alpha,beta-Unsaturated aldehydes and precursors from chemical subgroup 3.1 of FGE.19: Cinnamyl derivatives[1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008) View page or View pdf |
| Safety and efficacy of aryl-substituted primary alcohol, aldehyde, acid, ester and acetal derivatives belonging to chemical group 22 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):140-27-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61091 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-phenylprop-2-enyl 3-methylbutanoate |
| Chemidplus:0000140272 |
| RTECS:EK7902515 for cas# 140-27-2 |