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sandatrile
Notes:
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 68804-02-4 Propanenitrile, 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)-
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 20-78000 2,4,6-TRIMETHYL BENZALDEHYDE
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The John D. Walsh Company, Inc Suppliers Since 1942 Supplying the fragrance and flavor industry with high quality products. The John D. Walsh Company, Inc. has evolved from its beginnings as an agent/broker into a distributor of essential oils, aroma chemicals, concretes and absolutes. We currently represent the following companies, as their North American distributor: Destilerias Munoz Galvez, S.A. International Flavors & Fragrances PFW Aroma Chemicals B.V. Innospec Widnes Limited Hydrodiffusion de Guatemala, S. A. DSM Nutritional Products The John D. Walsh Company, Inc. is proud to be a founding member of IFEAT, an active member of IFRA, North America, and a corporate sponsor of the WFFC. Email: Information Email: Sales Email: Firmenich Flavor inquiries Voice: 973-962-1400 Fax: 973-962-1557 Firmenich Flavor Phone: 973-962-1888 Firmenich Flavor Fax: 973-962-1898 History Product(s): Rose Nitrile
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| CAS Number: | 68804-02-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 272-321-6 | |
| XlogP3-AA: | 2.90 (est) | |
| Molecular Weight: | 189.30143000 | |
| Formula: | C13 H19 N | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | trimethyl bicyclo-3-heptyl acrylonitrile | |
Category: fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to yellow brown clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.94200 to 0.95200 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.848 to 7.931 |
| Refractive Index: | 1.49100 to 1.49700 @ 20.00 °C. |
| Boiling Point: | 286.00 to 287.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 4.150 (est) |
| Soluble in: | |
| alcohol | |
| water, 3.562 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | medium |
| Substantivity: | 264 hour(s) at 100.00 % |
| rose geranium woody sandalwood | |
| Odor Description: at 100.00 %. | rich rose geranium woody sandalwood |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| Propanenitrile, 3-(4,7,7-trimethylbicyclo[4.1.0]hept-3-ylidene)- |
| Penta International |
| 2,4,6-TRIMETHYL BENZALDEHYDE |
| The John D. Walsh Company |
| Rose Nitrile |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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: | |
| 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 geranium nitrile usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Recommendation for geranium 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 53425201 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile | |
| Chemidplus: | 0068804024 |
References:
| 3-(4,7,7-trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 53425201 |
| Pubchem (sid): | 135258567 |
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 |
Potential Blenders and core components note
Potential Uses:
| aldehydic | FR | |
| animal | FR | |
| floral | FR | |
| geranium | FR | |
| musk | FR | |
| rose | FR | |
| sandalwood | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| geranium nitrile | |
| rose nitrile | |
| sandatrile | |
| 3-(4,7,7- | trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-ylidene) propane nitrile |
| 3-(4,7,7- | trimethyl bicyclo(4.1.0)hept-3-ylidene) propane nitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile |
| 3-(4,7,7- | trimethyl bicyclo(4.1.0)hept-3-ylidene) propiononitrile + 3-(4,7,7-trimethyl bicyclo(4.1.0)hept-3-yl) acrylonitrile |
| 3-(4,7,7- | trimethylbicyclo(4.1.0)hept-3-ylidene) propiononitrile |
| 3-(4,7,7- | trimethylbicyclo(4.1.0)hept-3-ylidene)propiononitrile |
| 3-(4,7,7- | trimethylbicyclo[4.1.0]hept-3-yl)acrylonitrile |
| 3-(4,7,7- | trimethylbicyclo[4.1.0]hept-3ylidene)propionitrile |