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2-phenyl-2-pentenal
General Material Information
| Preferred name | 2-phenyl-2-pentenal |
| Trivial Name | α-Propylidenebenzeneacetaldehyde |
| Short Description | benzeneacetaldehyde, a-propylidene- |
| Formula | C11 H12 O |
| CAS Number | 3491-63-2 |
| Flavis Number | 5.175 |
| FDA UNII | Search |
| MDL | MFCD00051835 |
| xLogP3-AA | 2.60 (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: | 2912.19.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Endeavour Specialty Chemicals |
| R C Treatt & Co Ltd | Robinson Brothers |
| Santa Cruz Biotechnology | Sigma-Aldrich: Aldrich |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 160.21583557129 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.363 to 8.446 |
| Refractive Index | 1.545 to 1.553 @ 20 °C |
| Boiling Point | 124 to 126°C @ 14 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.207 est |
| Solubility | |
| alcohol | Yes |
| water, 248.3 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| floral, hyacinth, green, narcissus, foliage, radish, honey, sweet pea | |
| Odor strength | medium |
| Substantivity | > 114 hour(s) at 100.00 % |
| Luebke, William tgsc, (2009) | At 100.00 %. floral hyacinth green narcissus foliage radish honey sweet pea |
| Flavor Type: Green | |
| green, floral, chrysanthemum, spicy, radish, hyacinth, foliage, honey | |
| Luebke, William tgsc, (2009) | Green floral chrysanthemum spicy radish hyacinth foliage honey |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Bluebell , Clematis , Daffodil , Greenhouse , Hyacinth , Hydrangea , Jonquil , Kewda , Lotus , Narcissus , Privet blossom , Wallflower |
| Flavoring purposes | Horseradish , Radish , Sesame |
Safety Information
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 | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 2-phenyl-2-pentenal usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.011 (μg/capita/day) | ||
| Structure Class: | II | ||
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 216: alpha,beta-Unsaturated aldehydes from chemical subgroup 3.3 of FGE.19: 2-Phenyl-2-alkenals[1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 216, Revision 1 (FGE.216Rev1). Consideration of genotoxic potential for a,ß-unsaturated 2-Phenyl -2-Alkenals from Subgroup 3.3 of FGE.19 View page or View pdf |
| 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 :3083805 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-phenylpent-2-enal |
| Chemidplus:0003491632 |