Articles:
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2-propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester
Notes:
Used in food flavouring
| CAS Number: | 10482-79-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 233-989-4 | |
| Nikkaji Web: | J212.420C | |
| MDL: | MFCD00048310 | |
| XlogP3: | 6.30 (est) | |
| Molecular Weight: | 286.41462000 | |
| Formula: | C19 H26 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: 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: | white crystals (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Refractive Index: | 1.53700 @ 20.00 °C. |
| Boiling Point: | 380.00 °C. @ 760.00 mm Hg |
| Flash Point: | 426.00 °F. TCC ( 218.89 °C. ) |
| logP (o/w): | 6.387 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.03791 mg/L @ 25 °C (est) | |
| Similar Items: note | |
| allyl cinnamate | |
| amyl cinnamate | |
| isoamyl cinnamate | |
| benzyl cinnamate | |
| butyl cinnamate | |
| isobutyl cinnamate | |
| cinnamyl 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 | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| palmarosa sweet cinnamyl rose red rose | |
| Odor Description: at 100.00 %. | palmarosa sweet mellow red rose |
| 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: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for citronellyl cinnamate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 10482-79-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6437720 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3,7-dimethyloct-6-enyl (E)-3-phenylprop-2-enoate | |
| Chemidplus: | 0010482798 |
References:
| 3,7-dimethyloct-6-enyl (E)-3-phenylprop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6437720 |
| Pubchem (sid): | 135067082 |
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): | HMDB38957 |
| FooDB: | FDB018440 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| fixer | ||
| floral | FR | |
| gardenia | FR | |
| palmarosa oil replacer | FR | |
| rose red rose | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 3,7- | dimethyl oct-6-enyl (E)-3-phenyl prop-2-enoate |
| 3,7- | dimethyloct-6-en-1-yl (2E)-3-phenylacrylate |
| 3,7- | dimethyloct-6-enyl (E)-3-phenylprop-2-enoate |
| 3- | phenyl-2-propenoic acid 3,7-dimethyl-6-octenyl ester |
| 2- | propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octen-1-yl ester, (2E)- |
| 2- | propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester |