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(E)-cinnamyl butyrate
General Material Information
| Preferred name | (E)-cinnamyl butyrate |
| Trivial Name | trans-Cinnamyl butyrate |
| Short Description | (E)-3-phenylprop-2-en-1-yl butanoate |
| Formula | C13 H16 O2 |
| CAS Number | 78761-39-4 |
| FDA UNII | TKZ9V37P1G |
| Nikkaji Number | J35.105I |
| Beilstein Number | 3200585 |
| MDL | MFCD00027135 |
| COE Number | 279 |
| xLogP3-AA | 3.10 (est) |
| NMR Predictor | External link |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Sigma-Aldrich |
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 204.26892089844 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.404 to 8.446 |
| Refractive Index | 1.525 to 1.53 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 3.66 est |
| Solubility | |
| alcohol | Yes |
| water, 22.29 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Balsamic | |
| balsamic, fruity, cinnamyl | |
| Odor strength | medium |
| Substantivity | 152 hour(s) at 100.00 % |
| General comment | At 100.00 %. soft balsam fruity cinnamyl |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Crabapple , Balsam , Banana , Floral , Honey , Lily , Lily of the valley , Peach , Pear , Rose , Sweet pea , Tuberose , Valerian , Wisteria |
| Flavoring purposes | Valerian |
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 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. | |
| 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: | |
| Not determined | |
| 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 (E)-cinnamyl butyrate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for (E)-cinnamyl butyrate flavor usage levels up to: | |||
| 15.0000 ppm in the finished product. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5355254 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(E)-3-phenylprop-2-enyl] butanoate |
| Chemidplus:0000103617 |
| RTECS:ES8815000 for cas# 78761-39-4 |