| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 538-65-8 |
| ECHA EC Number: | 208-699-6 |
| FDA UNII: | 05Q793M6Z5 |
| CoE Number: | 326 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | butyl cinnamate |
| InChI : | InChI=1/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3 |
| Std.InChI: | InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3 |
| InChIKey : | OHHIVLJVBNCSHV-UHFFFAOYAH |
| Std.InChIKey: | OHHIVLJVBNCSHV-UHFFFAOYSA-N |
| SMILES : | CCCCOC(=O)C=CC1=CC=CC=C1 |
| MDL: | MFCD00051560 |
| Molar Refractivity : | 62.44 ± 0.3 cm3 (est) |
| Parachor : | 494.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.537 ± 0.02 (est) |
| Surface Tension : | 37.3 ± 3.0 dyne/cm (est) |
| Density : | 1.021 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.75 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 663 butyl cinnamate |
| DG SANTE Food Flavourings: | 09.733 butyl cinnamate |
| FEMA Number: | 2192 butyl cinnamate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 538-65-8 ; BUTYL CINNAMATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 98.00 to 100.00 sum of isomers |
| Equivalence Factor for Assay: | 102.14 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00700 to 1.01300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.389 to 8.439 |
| Refractive Index: | 1.54100 to 1.54600 @ 20.00 °C. |
| Refractive Index: | 1.53900 to 1.54500 @ 20.00 °C. |
| Boiling Point: | 145.00 °C. @ 13.00 mm Hg |
| Boiling Point: | 279.00 to 281.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.549000 mmHg @ 25.00 °C. |
| Vapor Density: | 7.0 ( Air = 1 ) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 3.830 |
| Soluble in: | |
| alcohol | |
| water, 5000 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| allyl cinnamate | |
| amyl cinnamate | |
| isoamyl cinnamate | |
| benzyl cinnamate | |
| isobutyl cinnamate | |
| cinnamyl cinnamate | |
| citronellyl cinnamate | |
| cyclohexyl cinnamate | |
| ethyl alpha-acetyl cinnamate | |
| ethyl cinnamate | |
| heptyl cinnamate | |
| (Z)-3-hexen-1-yl cinnamate | |
| hexyl cinnamate | |
| linalyl cinnamate | |
| methyl cinnamate | |
| octyl cinnamate | |
| phenethyl cinnamate | |
| 3-phenyl propyl cinnamate | |
| propyl cinnamate | |
| isopropyl cinnamate | |
| terpinyl cinnamate | |
| tetrahydrofurfuryl cinnamate | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| BOC Sciences |
| For experimental / research use only. |
| Butyl Cinnamate |
| M&U International |
| Butyl Cinnamate, Kosher |
| Parchem |
| Butyl Cinnamate |
| Penta International |
| BUTYL CINNAMATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Butyl Cinnamate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| N-Butyl Cinnamate |
| Synerzine |
| Butyl Cinnamate |
| 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 36 - Wear suitable protective clothing. | |
| 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: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg One group of 10 animals received 5000 mg/kg, mortality 0/10, only summary available. (Moreno, 1977r) oral-mouse LD50 7000 mg/kg Annales Pharmaceutiques Francaises. Vol. 14, Pg. 370, 1956. oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 655, 1980. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 18, Pg. 655, 1980. | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 butyl cinnamate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 0.5000 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0127 mg/kg/day (IFRA, 2001) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.37 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (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: | 1.00000 | 15.00000 | |
| beverages(nonalcoholic): | - | 0.83000 | |
| beverages(alcoholic): | - | 2.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.60000 | |
| fruit ices: | - | 2.60000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 15.00000 | |
| 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: | - | - | |
| 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):538-65-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10861 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| butyl 3-phenylprop-2-enoate |
| Chemidplus:0000538658 |
| RTECS:GD8425000 for cas# 538-65-8 |
| butyl (E)-3-phenylprop-2-enoate |
| butyl (Z)-3-phenylprop-2-enoate |
| butyl 3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 538-65-8 |
| Pubchem (cid): | 10861 |
| Pubchem (sid): | 29279231 |
| butyl (E)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 52392-64-0 |
| Pubchem (cid): | 5273465 |
| Pubchem (sid): | 154166 |
| butyl (Z)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 538-65-8 |
| (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): | HMDB37702 |
| FooDB: | FDB016830 |
| Export Tariff Code: | 2916.12.6000 |
| ChemSpider: | View |
| FR | balsam |
| FL | chocolate cocoa |
| FR | fruit |
| FR | peach |
| FR | spice |
| FR | strawberry |
| not found in nature |
| butyl 3-phenyl propenoate | |
| butyl 3-phenyl-2-propenoate | |
| butyl 3-phenylprop-2-enoate | |
| butyl 3-phenylpropenoate | |
| butyl beta-phenyl acrylate | |
| N- | butyl cinnamate |
| N- | butyl phenyl acrylate |
| cinnamic acid butyl ester | |
| cinnamic acid N-butyl ester | |
| 3- | phenyl-2-propenoic acid butyl ester |
