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nerolione (Symrise)
General Material Information
| Preferred name | nerolione (Symrise) |
| Trivial Name | 1-(3-Methyl-2-benzofuranyl)ethanone |
| Formula | C11 H10 O2 |
| CAS Number | 23911-56-0 |
| FDA UNII | Search |
| MDL | MFCD06357331 |
| xLogP3-AA | 2.70 (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 |
Literature & References
| 1-(3-methyl-2-benzofuran-1-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 16205025 |
| Pubchem (sid): | 135204460 |
| Publications by PubMed | |
| The importance of new molecules in selective perfumery. | |
| A new acetophenone derivative from flowers of Helichrysum italicum (Roth) Don ssp. italicum. | |
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 |
| ChemSpider: | View |
| Wikipedia: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Suppliers
| Associate Allied Chemicals | Indukern F&F |
| Lluch Essence | Santa Cruz Biotechnology |
| Symrise | Vigon International |
| Indukern, S.A. F&F Ingredients Division |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 174.19909667969 |
| Boiling Point | 302 to 305°C @ 760 mm Hg |
| Vapor Pressure | 0.0005 mmHg @ 25 °C |
| Flash Point TCC Value | 139.44 °C TCC |
| logP (o/w) | 1.463 est |
| Solubility | |
| alcohol | Yes |
| water, 414.7 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| floral, orangeflower | |
| General comment | At 10.00 % in dipropylene glycol. floral orangeflower |
| Stable in: body lotion (very good), shampoo (very good), soap (very good), ap roll-on (good), powder (good), cleaner citric (good), cleaner apc (very good), bleach (poor). | A highly diffusive and intense floral-fresh aromatic, reminiscent of orange blossom |
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: | |||
| 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 nerolione (Symrise) flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):23911-56-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :16205025 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-(3-methyl-2-benzofuran-1-yl)ethanone |
| Chemidplus:0023911560 |