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butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester
Notes:
None found
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 140-27-2 trans-Cinnamyl Isovalerate
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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): W230200 trans-Cinnamyl isovalerate, ≥95%, FCC, FG SDS
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| CAS Number: | 69121-78-4 |  3D/inchi
|
| FDA UNII: | 5JHK9Y2XRM | |
| Nikkaji Web: | J503.383G | |
| Beilstein Number: | 3201227 | |
| MDL: | MFCD00048351 | |
| CoE Number: | 454 | |
| XlogP3: | 3.90 (est) | |
| Molecular Weight: | 218.29586000 | |
| Formula: | C14 H18 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: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.99100 to 0.99600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.246 to 8.288 |
| Refractive Index: | 1.51800 to 1.52400 @ 20.00 °C. |
| Boiling Point: | 313.00 to 315.00 °C. @ 760.00 mm Hg |
| Acid Value: | 3.00 max. KOH/g |
| Vapor Pressure: | 0.000260 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 4.013 (est) |
| Soluble in: | |
| alcohol | |
| fixed oils | |
| water, 8.282 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| propylene glycol | |
| glycerin | |
Organoleptic Properties:
| Odor Type: spicy | |
| Odor Strength: | medium |
| Substantivity: | 100 hour(s) at 100.00 % |
| sweet spicy melon cherry apple green apple blueberry | |
| Odor Description: at 100.00 %. | sweet spice melon cherry green apple blueberry |
| Flavor Type: fruity | |
| fruity cherry melon pineapple green | |
| Taste Description: | fruity cherry melon pineapple green |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| trans-Cinnamyl Isovalerate |
| Sigma-Aldrich |
| trans-Cinnamyl isovalerate, ≥95%, FCC, FG
Odor: balsam; blueberry; grape; honey; spicy; fruity; pear; rose; sour; wine-like; woody . |
| Certified Food Grade Products |
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. | |
| 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 isovalerate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
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 : | 5355855 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(E)-3-phenylprop-2-enyl] 3-methylbutanoate | |
| Chemidplus: | 0000140272 |
| RTECS: | EK7902515 for cas# 69121-78-4 |
References:
| [(E)-3-phenylprop-2-enyl] 3-methylbutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5355855 |
| Pubchem (sid): | 135017147 |
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 | |
| apricot | FR | |
| blueberry | FR | |
| bread | FL | |
| cherry | FR | |
| grape | FR | |
| maple | FR | |
| melon | FR | |
| peach | FR | |
| pear | FR | |
| pepper tabasco pepper | FL | |
| pineapple | FR | |
| plum | FR | |
| rose | FR | |
| rose tea rose | FR | |
| spice | FR | |
| strawberry | FR | |
| walnut | FL |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester | |
| trans- | cinnamyl isovalerate |
| (2E)-3- | phenylprop-2-en-1-yl 3-methylbutanoate |
| [(E)-3- | phenylprop-2-enyl] 3-methylbutanoate |