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trimethyl-3-cyclopentenyl acetonitrile
General Material Information
| Preferred name | trimethyl-3-cyclopentenyl acetonitrile |
| Trivial Name | 2,2,3-Trimethyl-3-cyclopentene-1-acetonitrile |
| Short Description | cantryl (Symrise) |
| Formula | C10 H15 N |
| CAS Number | 15373-31-6 |
| Deleted CAS Number | 18674-52-7 |
| ECHA Number | 239-405-4 |
| FDA UNII | Search |
| Nikkaji Number | J218.411G |
| xLogP3-AA | 2.10 (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 |
| ChemSpider: | View |
Suppliers
| Associate Allied Chemicals | Moellhausen |
| Penta International | Symrise |
| Tadimety Aromatics | Vigon International |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 149.23655700684 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.547 to 7.597 |
| Refractive Index | 1.464 to 1.469 @ 20 °C |
| Boiling Point | 230 to 231°C @ 760 mm Hg |
| Vapor Pressure | 0.067 mmHg @ 25 °C |
| Vapor Density | 5.2 |
| Flash Point TCC Value | 98.89 °C TCC |
| logP (o/w) | 2.837 est |
| Solubility | |
| alcohol | Yes |
| water, 59.81 mg/L @ 25 °C (est) | Yes |
| Stability | |
| AP roll-on 15% (very good) | Unspecified |
| bleach (poor) | Unspecified |
| body lotion (good) | Unspecified |
| cleaner APC liquid (very good) | Unspecified |
| cleaner liquid citric acid (excellent) | Unspecified |
| detergent powder conc. (very good) | Unspecified |
| shampoo/shower gel (excellent) | Unspecified |
| soap (very good) | Unspecified |
Organoleptic Properties
| Odor Type: Pine | |
| pine, rosemary, hay | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 44 hour(s) at 100.00 % |
| General comment | At 10.00 % in dipropylene glycol. pine rosemary hay |
| Stable in: body lotion (good), shampoo (excellent), soap (very good), ap roll-on (very good), powder (very good), cleaner citric (excellent), cleaner apc (very good), bleach (poor). | Powerful odor with pine, rosemary and hay-like tonalities |
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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 2000 mg/kg | |
| 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 trimethyl-3-cyclopentenyl acetonitrile 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):15373-31-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :85833 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetonitrile |
| Chemidplus:0015373316 |