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floral nitrile
General Material Information
| Preferred name | floral nitrile |
| Trivial Name | 4-Ethyl-α,α-dimethylbenzenepropanenitrile |
| Short Description | fleuranil (IFF) |
| Formula | C13 H17 N |
| CAS Number | 134123-93-6 |
| FDA UNII | Search |
| xLogP3-AA | 3.60 (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: | 2926.90.0000 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 187.28549194336 |
| Boiling Point | 311 to 312°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 93.89 °C TCC |
| logP (o/w) | 3.46 |
| Shelf life | 36 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 11.37 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| hard surface cleaner | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Herbal | |
| ozone, marine, seashore, anisic, herbal | |
| Odor strength | medium |
| Substantivity | 304 hour(s) at 100.00 % |
| Luebke, William tgsc, (2007) | At 100.00 %. ozone marine seashell anisic herbal |
| General comment | Gives fresh, floral, ozone, salted, basillic herbal notes with good diffusion |
Potential Uses
| Applications | |
| Odor purposes | Floral , Herbal , Lilac , Ocean sea |
| Other purposes | Ozone |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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. | |
| Human Experience: | |
| no sensitization at 6.0% | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 2000 mg/kg | |
| Dermal Toxicity: | |
| skin-rat LD50 > 2000 mg/kg | |
| 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 floral nitrile usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for floral nitrile 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):134123-93-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :164355 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile |
| Chemidplus:0134123936 |