Articles:
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isopentyl (E)-cinnamate
Notes:
None found
| CAS Number: | 85180-66-1 |  3D/inchi
|
| FDA UNII: | AB60R20S7J | |
| Nikkaji Web: | J183.086D | |
| XlogP3: | 4.30 (est) | |
| Molecular Weight: | 218.29586000 | |
| Formula: | C14 H18 O2 | |
| BioActivity Summary: | listing | |
| 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: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99200 to 0.99700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.254 to 8.296 |
| Refractive Index: | 1.53300 to 1.54100 @ 20.00 °C. |
| Boiling Point: | 310.00 to 311.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 4.340 (est) |
| Soluble in: | |
| alcohol | |
| water, 8.282 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: at 100.00 %. | balsam |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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 | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
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 : | 5273467 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-methylbutyl (E)-3-phenylprop-2-enoate | |
| Chemidplus: | 0085180661 |
| RTECS: | UD3656100 for cas# 85180-66-1 |
References:
| 3-methylbutyl (E)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5273467 |
| Pubchem (sid): | 135019761 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| amber | FR | |
| apricot | FR | |
| balsam | FR | |
| berry | FR | |
| carnation | FR | |
| chocolate cocoa | FL | |
| floral | FR | |
| honey | FR | |
| orchid | FR | |
| oriental | FR | |
| peach | FR | |
| spice | FR |
Occurrence (nature, food, other): note
| cinnamon Search PMC Picture |
Synonyms:
| iso | amyl (E)-3-phenyl propenoate |
| iso | amyl (E)-beta-phenyl acrylate |
| iso | amyl trans-3-phenyl propenoate |
| iso | amyl trans-beta-phenyl acrylate |
| iso | amyl trans-cinnamate |
| (E)- | cinnamic acid isoamyl ester |
| trans- | cinnamic acid isoamyl ester |
| (E)- | cinnamic acid isopentyl ester |
| trans- | cinnamic acid isopentyl ester |
| 3- | methyl butyl (E)-3-phenyl-2-propenoate |
| 3- | methyl butyl trans-3-phenyl-2-propenoate |
| 3- | methylbutyl (E)-3-phenylprop-2-enoate |
| 3- | methylbutyl trans-3-phenylprop-2-enoate |
| iso | pentyl (E)-3-phenyl acrylate |
| iso | pentyl (E)-3-phenyl propenoate |
| iso | pentyl (E)-beta-phenyl acrylate |
| iso | pentyl (E)-cinnamate |
| iso | pentyl (trans-3-phenyl acrylate |
| iso | pentyl alcohol (E)-cinnamate |
| iso | pentyl alcoholtrans-cinnamate |
| iso | pentyl trans-3-phenyl propenoate |
| iso | pentyl trans-beta-phenyl acrylate |
| iso | pentyl trans-cinnamate |