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isobutyl cinnamate
General Material Information
| Preferred name | isobutyl cinnamate |
| Trivial Name | 2-methylpropyl 3-phenylprop-2-enoate |
| Short Description | cinnamic acid isobutyl ester |
| Formula | C13 H16 O2 |
| CAS Number | 122-67-8 |
| CAS Number | 122-67-8 (E) |
| FEMA Number | 2193 |
| ECHA Number | 204-564-0 |
| FDA UNII | 4NCI0MR7KP |
| MDL | MFCD00038289 |
| COE Number | 327 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 664 isobutyl cinnamate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 122-67-8 ; ISOBUTYL CINNAMATE |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB37703 |
| FooDB: | FDB016831 |
| Export Tariff Code: | 2916.12.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 204.26892089844 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.329 to 8.354 |
| Refractive Index | 1.535 to 1.541 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.002 mmHg @ 20 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 3.83 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 |
| fixed oils | Yes |
| water, 25.75 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Balsamic | |
| sweet, balsamic, fruity, labdanum, spicy | |
| Odor strength | medium |
| Substantivity | 168 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. sweet balsam fruity like labdanum |
| Mosciano, Gerard P&F 15, No. 2, 69, (1990) | Sweet, fruity, balsamic and spice-like |
| Flavor Type: Balsamic | |
| balsamic, fruity, chemical | |
| Mosciano, Gerard P&F 15, No. 2, 69, (1990) | At 30.00 ppm. Balsamic, fruity and chemical-like |
| General comment | Sweet, taste reminiscent of currant |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Amber , Balsam , Cherry , Chypre , Clover , Currant , Fern , Fresh outdoors , Grape , Heather , Herbal , Honey , Kumquat , Labdanum , Moss , Orchid , Oriental , Peach , Plum , Raspberry , Strawberry , Tobacco , Vanilla , Woody |
| Flavoring purposes | Chocolate cocoa |
| Other purposes | Tweed |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Acute toxicity, Oral (Category 4), H302 Skin corrosion/irritation (Category 3), H316 Serious eye damage/eye irritation (Category 2A), H320 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed H316 - Causes mild skin irritation H320 - Causes eye irritation | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg One group of 10 animals received 5000 mg/kg, mortality 2/10, only summary available. (Levenstein, 1975g) | |
| 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 | |||
| maximum skin levels for fine fragrances: | |||
| 0.1000 % 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 isobutyl cinnamate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.5000 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0125 mg/kg/day (IFRA, 2001) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.20 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (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: | - | 5.40000 | |
| beverages(nonalcoholic): | - | 1.30000 | |
| beverages(alcoholic): | - | 2.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.40000 | |
| fruit ices: | - | 3.40000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.40000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - 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 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):122-67-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31223 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-methylpropyl 3-phenylprop-2-enoate |
| Chemidplus:0000122678 |
| RTECS:GD9550000 for cas# 122-67-8 |
| 2-methylpropyl (E)-3-phenylprop-2-enoate |