| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 10461-98-0 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | peony acetonitrile |
| InChI : | InChI=1/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2 |
| Std.InChI: | InChI=1S/C14H15N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2 |
| InChIKey : | ZHOOOLQOWQVYOE-UHFFFAOYAJ |
| Std.InChIKey: | ZHOOOLQOWQVYOE-UHFFFAOYSA-N |
| SMILES : | C1CCC(=C(C#N)C2=CC=CC=C2)CC1 |
| Molar Refractivity : | 61.50 ± 0.3 cm3 (est) |
| Parachor : | 484.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.569 ± 0.02 (est) |
| Surface Tension : | 44.4 ± 3.0 dyne/cm (est) |
| Density : | 1.052 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.38 ± 0.5 10-24cm3 (est) |
| Fragrance Demo Formulas | |
| Appearance: | colorless to pale yellow liquid to solid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 350.00 to 351.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000042 mmHg @ 25.00 °C. (est) |
| Flash Point: | 248.00 °F. TCC ( 120.00 °C. ) |
| logP (o/w): | 3.851 (est) |
| Soluble in: | |
| alcohol | |
| water, 7.5 mg/L @ 20 °C (exp) | |
| Stability: | |
| alcoholic - good | |
| antiperspirant spray - good | |
| APC (pH = 10) - good | |
| candles - good | |
| damp fabric - good | |
| dry fabric - good | |
| liquid bleach - moderate | |
| pH = 2 - good | |
| powder detergent - good | |
| powder detergent + activator - good | |
| soap - good | |
| toiletries - good | |
| None found |
| Agan Aroma and Fine Chemicals |
| Aganile Odor: Floral, geranium, Grapefruit, Fresh |
| Augustus Oils |
| Peonile |
| Services |
| Creatingperfume.com |
| Peonile Odor: rose geranium like |
| Ernesto Ventós |
| GERANIUM NITRILE Odor: FLORAL, GERANIUM, GRAPEFRUIT, FRESH |
| Givaudan |
| Peonile® Odor: Floral, Geranium, Grapefruit, Fresh Use: Peonile, with its geranium-rosy character, gives interesting combinations in floral, fougère or hesperidian accords. Peonile is powerful, relatively non-volatile and is very stable in almost all media. It has very high substantivity on wet and dry laundry and helps to increase volume and tenacity in functional perfumes. |
| Indukern F&F |
| PEONILE Odor: FLORAL, FRESH, GERANIUM, CITRUS |
| Lluch Essence |
| PEONILE |
| Moellhausen |
| PEONILE |
| O'Laughlin Industries |
| GEROLIL |
| OQEMA |
| Peolan |
| Pell Wall Perfumes |
| Peonile Odor: Floral-rose and geranium, green-citrus. Substantive and Fixative Use: Writing in 1999 Arcadi Boix Camps says it “is an extremely good chemical smelling of geranium, rose and other flowers. It is incredibly effective as a floralizer on powder detergent and soap fragrances and provides a harmony not easily acheived with other chemicals. It remains captive and is missing from most laboratories, but I believe it will come to be used more and more because of its outstanding and impressive properties” |
| Penta International |
| 2-CYCLOHEXYLIDEN-2-PHENYLACETONITRILE |
| PerfumersWorld |
| Peonile |
| Tadimety Aromatics |
| Geranium Nitrile Odor: Floral, Geranium, Grape Fruit, Fresh |
| The Perfumers Apprentice |
| Peonile (G) Odor: Floral, Rosy Geranium, Grapefruit nuance, Fresh with its geranium-rosy character Use: gives interesting combinations in floral, fougère or hesperidian accords. Peonile is powerful, relatively non-volatile and is very stable in almost all media. |
| Tianjin Danjun International |
| 2-Cyclohexylidene benzeneacetonitrile |
| Vigon International |
| Peonile Odor: Floral, Geranium, Grapefruit, Fresh |
| Vistachem |
| 2-Cyclohexylidene-2-phenylacetonitrile |
| Zanos |
| Aganile |
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
| R 22 - Harmful if swallowed. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 60 - This material and its container must be disposed of as hazardous waste. 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 | |
| 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 peony acetonitrile usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for peony acetonitrile flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):10461-98-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :66327 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3082 |
| WGK Germany:2 |
| 2-cyclohexylidene-2-phenylacetonitrile |
| Chemidplus:0010461980 |
| 2-cyclohexylidene-2-phenylacetonitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 66327 |
| Pubchem (sid): | 135026097 |
| (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 |
| FR | aldehydic |
| FR | autumn |
| FR | azalea |
| FR | bouquet |
| FR | carnation |
| FR | chamomile |
| FR | citrus |
| FR | clove blossom |
| FL/FR | currant bud absolute replacer |
| FR | dahlia |
| FR | daisy |
| FR | daphne |
| FR | davana oil replacer |
| FR | elder berry |
| FR | fagonia |
| fantasy blends | |
| FR | fern |
| FR | floral |
| FR | foliage |
| FR | fruit |
| FR | geranium |
| FR | green |
| FR | guava |
| FR | hyacinth |
| FR | hydrangea |
| FR | leather |
| FR | lily of the valley |
| FR | millefleurs |
| FR | moss |
| FR | musk |
| FR | peony |
| FR | peppermint |
| FR | petunia |
| FR | phlox |
| FR | poppy |
| FR | rain |
| FR | reseda |
| FR | rose |
| FR | rose absolute replacer |
| FR | rose d'orient |
| FR | rose dog rose |
| FR | rose geranium |
| FR | rose moss rose |
| FR | rose red rose |
| FR | rose tea rose |
| FR | rose white rose |
| FR | rosemary |
| FR | scented stock |
| FR | stephanotis |
| FR | tobacco |
| FR | tulip |
| not found in nature |
| benzeneacetonitrile, a-cyclohexylidene- | |
| 2- | cyclohexyl-2-cyclohexylideneacetonitrile |
| 2- | cyclohexylidene-2-phenyl acetonitrile |
| 2- | cyclohexylidene-2-phenylacetonitrile |
| 2- | cyclohexylidene-2-phenylethanenitrile |
| cyclohexylidene(phenyl)acetonitrile | |
| a- | cyclohexylidenebenzeneacetonitrile, |
| cyclohexylidenephenylacetonitrile | |
| geranium nitrile (Tadimety) | |
| gerolil | |
| peolan | |
| peonile (Givaudan) |
| US Patents:6,069,125 - Nitrile |
