Articles:
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(E)-3-phenylprop-2-en-1-yl butanoate
Notes:
None found
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W229601 trans-Cinnamyl butyrate, ≥96%, FCC SDS
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| CAS Number: | 78761-39-4 |  3D/inchi
|
| FDA UNII: | TKZ9V37P1G | |
| Nikkaji Web: | J35.105I | |
| Beilstein Number: | 3200585 | |
| MDL: | MFCD00027135 | |
| CoE Number: | 279 | |
| XlogP3-AA: | 3.10 (est) | |
| Molecular Weight: | 204.26892000 | |
| Formula: | C13 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.01000 to 1.01500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.404 to 8.446 |
| Refractive Index: | 1.52500 to 1.53000 @ 20.00 °C. |
| Boiling Point: | 300.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 174.00 °C. @ 20.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 3.660 (est) |
| Soluble in: | |
| alcohol | |
| water, 22.29 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: balsamic | |
| Odor Strength: | medium |
| Substantivity: | 152 hour(s) at 100.00 % |
| balsamic fruity cinnamyl | |
| Odor Description: at 100.00 %. | soft balsam fruity cinnamyl |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Sigma-Aldrich |
| trans-Cinnamyl butyrate, ≥96%, FCC
Odor: balsam; floral; fruity |
| Certified Food Grade Products |
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 |
References:
| [(E)-3-phenylprop-2-enyl] butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5355254 |
| Pubchem (sid): | 134972236 |
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 |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| crabapple | FR | |
| balsam | FR | |
| banana | FR | |
| floral | FR | |
| honey | FR | |
| lily | FR | |
| lily of the valley | FR | |
| peach | FR | |
| pear | FR | |
| rose | FR | |
| sweet pea | FR | |
| tuberose | FR | |
| valerian | FL/FR | |
| wisteria | FR |
Occurrence (nature, food, other): note
| apple fruit Search PMC Picture |
Synonyms:
| butanoic acid, (2E)-3-phenyl-2-propen-1-yl ester | |
| trans- | cinnamyl butyrate |
| (2E)-3- | phenylprop-2-en-1-yl butanoate |
| (E)-3- | phenylprop-2-en-1-yl butanoate |
| (2E)-3- | phenylprop-2-en-1-yl butyrate |
| (E)-3- | phenylprop-2-en-1-yl butyrate |
| [(E)-3- | phenylprop-2-enyl] butanoate |