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agrumen nitrile
General Material Information
| Preferred name | agrumen nitrile |
| Trivial Name | 2-Benzyl-2-methyl-3-butenenitrile |
| Short Description | citrowanil B (Symrise) |
| Formula | C12 H13 N |
| CAS Number | 97384-48-0 |
| FDA UNII | Search |
| Nikkaji Number | J709.057I |
| xLogP3-AA | 3.10 (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 |
| Export Tariff Code: | 2926.90.0000 |
| ChemSpider: | View |
Suppliers
| Associate Allied Chemicals | Augustus Oils |
| Lluch Essence | Moellhausen |
| Perfumery Laboratory | Symrise |
| Vigon International | Augustus Oils Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 171.24261474609 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.996 to 8.08 |
| Refractive Index | 1.51 to 1.52 @ 20 °C |
| Boiling Point | 285 to 286°C @ 760 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 2.386 est |
| Solubility | |
| alcohol | Yes |
| water, 52.18 mg/L @ 25 °C (est) | Yes |
| Stability | |
| AP roll-on 15% (very good) | Unspecified |
| bleach (good) | Unspecified |
| body lotion (very good) | Unspecified |
| cleaner APC liquid (very good) | Unspecified |
| cleaner liquid citric acid (very good) | Unspecified |
| detergent powder conc. (very good) | Unspecified |
| shampoo/shower gel (excellent) | Unspecified |
| soap (good) | Unspecified |
Organoleptic Properties
| Odor Type: Aldehydic | |
| aldehydic, spicy, herbal, green, peppery, sweet | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 376 hour(s) at 100.00 % |
| Luebke, William tgsc, (1993) | At 10.00 % in dipropylene glycol. aldehydic spicy herbal green peppery sweet |
| Stable in: body lotion (very good), shampoo (excellent), soap (good), ap roll-on (very good), powder (very good), cleaner citric (very good), cleaner apc (very good), bleach (good). | Fresh agrumic fragrance with spicy-herbal and sweet undertones |
| General comment | Agrumic scent with background notes of green-herbal |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Citrus , Green , Herbal , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| N - Dangerous for the environment. | |
| R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| 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 agrumen nitrile usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for agrumen 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):97384-48-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5463804 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-benzyl-2-methylbut-3-enenitrile |
| Chemidplus:0097384480 |