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para-anisyl nitrile
General Material Information
| Preferred name | para-anisyl nitrile |
| Trivial Name | 4-Methoxybenzonitrile |
| Short Description | tonkanyle (Synarome) |
| Formula | C8 H7 N O |
| CAS Number | 874-90-8 |
| Deleted CAS Number | 721942-48-9 |
| ECHA Number | 212-871-6 |
| FDA UNII | Search |
| Nikkaji Number | J195.161K |
| MDL | MFCD00001818 |
| Bio Activity Summary | External link |
| 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
| 4-methoxybenzonitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 874-90-8 |
| Pubchem (cid): | 70129 |
| Pubchem (sid): | 135026754 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2926.90.4800 |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 133.14999389648 |
| Melting Point | 61 to 62°C @ 760 mm Hg |
| Boiling Point | 256 to 257°C @ 760 mm Hg |
| Vapor Pressure | 0.014999 mmHg @ 25 °C |
| Flash Point TCC Value | 57.22 °C TCC |
| logP (o/w) | 1.7 |
| Solubility | |
| alcohol | Yes |
| water, 1715 mg/L @ 25 °C (est) | Yes |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| sweet, floral, hawthorn, hay, coumarinic | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 10.00 % in dipropylene glycol. sweet floral hawthorn hay coumarin |
| General comment | Soft tonka bean note with aniseed, almond and earthy nuances |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Almond , Amber , Ambrene , Angel essence , Anise , Apple , Apricot , Balsam , Banana , Bluebell , Bouquet , Cherry , Cherry blossom , Christmas , Chypre , Clover , Coconut tropical coconut , Cologne , Crabapple blossom , Decumaria , Elder flower , Fennel , Fern , Floral , Gardenia , Genet , Ginger white ginger , Gooseberry , Grape , Hawthorn , Hay new mown hay , Heliotrope , Herbal , Hibiscus , Honey , Honeysuckle , Jasmin , Jonquil , Lemon , Lilac , Lime , Linden flower , Magnolia , Melon , Mimosa , Orange , Orchid , Oriental , Pear , Peppermint , Pineapple , Powder , Raspberry , Sassafras , Spearmint , Strawberry , Sweet grass , Sweet pea , Tuberose , Valerian , Vanilla , Violet , Wallflower , Wisteria , Ylang ylang |
| Flavoring purposes | Buchu leaf , Valerian , Walnut |
| Other purposes | Apres l'ondee |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes. S 37/39 - Wear suitable gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| 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 para-anisyl nitrile usage levels up to: | |||
| 0.6000 % in the fragrance concentrate. | |||
| Recommendation for para-anisyl 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):874-90-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :70129 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2811 |
| WGK Germany:3 |
| 4-methoxybenzonitrile |
| Chemidplus:0000874908 |