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cuminyl nitrile
General Material Information
| Preferred name | cuminyl nitrile |
| Trivial Name | 4-(1-Methylethyl)benzonitrile |
| Short Description | 4-isopropylbenzonitrile |
| Formula | C10 H11 N |
| CAS Number | 13816-33-6 |
| ECHA Number | 237-492-3 |
| FDA UNII | 4V31KQF934 |
| Nikkaji Number | J132.029G |
| Beilstein Number | 1932883 |
| MDL | MFCD00052966 |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| 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 |
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PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 145.2046661377 |
| Boiling Point | 230 to 231°C @ 760 mm Hg |
| Vapor Pressure | 0.062 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 3.091 est |
| Solubility | |
| alcohol | Yes |
| water, 119.5 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Spicy | |
| spicy, cumin, dry, green | |
| Odor strength | medium , recommend smelling in a 1.00 % solution or less |
| Substantivity | < 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1995) | At 1.00 % in dipropylene glycol. spicy cumin dry green |
| Cumin Nitrile is a spicy cuminic ingredient, with a dry character and a hint of green. Cumin Nitrile is less pungent than the aldehyde but more stable and tenacious. | Spicy, Cumin, Green. |
| General comment | Spicy and warm aroma of cumin with a touch of greenery |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Balsam , Blackberry , Caraway seed , Cinnamon , Cumin oil replacer , Currant black currant , Dill weed , Eucalyptus oil replacer , Fern , Gooseberry , Green , Hawthorn , Hay new mown hay , Heather , Herbal , Lilac , Lily , Lily of the valley , Magnolia , Mimosa , Moss , Myrrh , Orange bitter orange peel , Oriental , Orris , Pine , Privet , Reseda , Rose white rose , Sap , Spice , Strawberry , Violet , Wallflower |
| Flavoring purposes | Cake , Caraway seed , Cookie , Dill weed , Lettuce , Orange bitter orange peel , Vegetable |
| Other purposes | Boldus oil replacer |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| 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 3900 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 837, 1983. | |
| 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 cuminyl nitrile usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Recommendation for cuminyl 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):13816-33-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :26289 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-propan-2-ylbenzonitrile |
| Chemidplus:0013816336 |