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citronitrile (Symrise)
General Material Information
| Preferred name | citronitrile (Symrise) |
| Trivial Name | 3-Methyl-5-phenyl-2-pentenenitrile |
| Short Description | citronitrile (Symrise) |
| Formula | C12 H13 N |
| CAS Number | 93893-89-1 |
| ECHA Number | 299-682-2 |
| FDA UNII | Search |
| MDL | MFCD00011718 |
| xLogP3-AA | 3.30 (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: | 2926.90.4400 |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Lluch Essence |
| Moellhausen | Penta International |
| Sigma-Aldrich: Aldrich | Symrise |
| Vigon International | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 171.24261474609 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 309 to 311°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 3.345 est |
| Solubility | |
| alcohol | Yes |
| water, 43.83 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Citrus | |
| citrus, lemongrass, fruity, floral, rose, cinnamon, balsamic | |
| Luebke, William tgsc, (1986) | At 100.00 %. citrus lemongrass fruity floral rose cinnamon balsamic |
| Stable in: body lotion (excellent), shampoo (excellent), soap (good), ap roll-on (very good), powder (very good), cleaner citric (very good), cleaner apc (very good), bleach (poor). | Citrus-like and fruity-floral with rosy and cinnamon nuances |
| General comment | CITRIC, FRESH, LEMONGRASS |
Potential Uses
| Applications | |
| Odor purposes | Abronia , Ash mountain ash berry , Bergamot , Calamus oil replacer , Cedrat , Cilantro , Citronella , Citrus , Cologne , Colonia , Curacao , Ginger , Grapefruit , Kumquat , Lemon , Lemongrass , Lime , Litsea cubeba , Mandarin , Melissa oil replacer , Mock orange , Orange , Orange bitter orange peel , Rhubarb , Tangerine , Verbena |
| Flavoring purposes | Cilantro , Litsea cubeba , Nectarine , Orange bitter orange peel |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| 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 citronitrile (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 ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :104453 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methyl-5-phenylpent-2-enenitrile |
| Chemidplus:0093893891 |