Articles:
| US Patents: | 3,979,338 - 9-[9,12-Epoxy-ethyl]-4-methyl tricyclo[6.2.1.0.sup.2.7 ]undec-4-ene and 9-[9,12-epoxy-ethyl]-5-methyl tricyclo[6.2.1.0.sup.2.7 ]undec-4-ene odor-modifying agents |
phenylcyanide
Notes:
Flavouring compound [Flavornet]
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Glentham Life Sciences Ltd The Chemical, Biochemical & Research Essentials Supplier Glentham Life Sciences is a supplier of fine chemicals and raw materials with warehousing, laboratories and packaging facilities in the UK. With a Glentham Life Sciences account you can view more product details, request quotes and order products online. Email: Info Email: Sales Email: Tech Support Voice: +44 (0) 1225 667798 Fax: +44 (0) 2033 978909 Facebook Twitter Linkedin Google+ News Distribution Products List: View Product(s): GX1471 Benzonitrile
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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): 02-14000 BENZONITRILE
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): B0082 Benzonitrile >99.0%(GC)
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Vigon International Passion for Simplicity Manufacturer and supplier of high quality flavor and fragrance ingredients. The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities. US Email: Sales US Voice: 570-476-6300 US Fax: 570-476-1110 Facebook Twitter Linkedin Newsletter Blog Products List: View Product(s): 500720 Benzonitrile
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| CAS Number: | 100-47-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-855-7 | |
| FDA UNII: | 9V9APP5H5S | |
| Nikkaji Web: | J3.590D | |
| Beilstein Number: | 506893 | |
| MDL: | MFCD00001770 | |
| XlogP3: | 1.60 (est) | |
| Molecular Weight: | 103.12385000 | |
| Formula: | C7 H5 N | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic fragrance agents and aromatic raw materials
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 clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | -14.00 to -12.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 191.00 to 193.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.768000 mmHg @ 25.00 °C. |
| Flash Point: | 159.00 °F. TCC ( 70.56 °C. ) |
| logP (o/w): | 1.560 |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
| Storage: | store under nitrogen. |
| Soluble in: | |
| alcohol | |
| water, 2000 mg/L @ 25 °C (exp) | |
Organoleptic Properties:
| Substantivity: | 4 Hour(s) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| EMD Millipore |
| For experimental / research use only. |
| Benzonitrile |
| Glentham Life Sciences |
| Benzonitrile |
| Penta International |
| BENZONITRILE |
| Sigma-Aldrich |
| For experimental / research use only. |
| Benzonitrile anhydrous, ≥99% |
| TCI AMERICA |
| For experimental / research use only. |
| Benzonitrile >99.0%(GC) |
| Vigon International |
| Benzonitrile |
Safety Information:
| 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: | |
|
intraperitoneal-rat LD50 740 mg/kg LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: MUSCLE WEAKNESS Annales Pharmaceutiques Francaises. Vol. 48, Pg. 23, 1990. oral-rabbit LD50 800 mg/kg BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979. intraperitoneal-rabbit LD50 1250 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979. oral-mouse LD50 971 mg/kg Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984. intraperitoneal-mouse LD50 400 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979. oral-cat LD50 800 mg/kg BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979. oral-mammal (species unspecified) LD50 800 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. oral-rat LDLo 720 mg/kg Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974 | |
| Dermal Toxicity: | |
|
skin-rat LD50 1200 mg/kg Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974 skin-rabbit LD50 1250 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 723, 1979. subcutaneous-frog LDLo 1700 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: OTHER CHANGES PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. subcutaneous-rabbit LDLo 200 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. | |
| Inhalation Toxicity: | |
|
inhalation-mouse LC50 1800 mg/m3 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(6), Pg. 34, 1977. inhalation-rat LCLo 950 ppm/8H LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974 | |
Safety in Use Information:
| Category: | cosmetic fragrance agents and aromatic raw materials | ||
| Recommendation for benzonitrile usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for benzonitrile flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| NIOSH International Chemical Safety Cards: | search |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 100-47-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7505 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| benzonitrile | |
| Chemidplus: | 0000100470 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 100-47-0 |
References:
| benzonitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 100-47-0 |
| Pubchem (cid): | 7505 |
| Pubchem (sid): | 134972561 |
| Flavornet: | 100-47-0 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C09814 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB029710 |
| Export Tariff Code: | 2926.90.0800 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •99.5% min wtwater content of 0.40% max •grades of purity: pure, 99+% | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| peanut | FR | |
| trassi |
Occurrence (nature, food, other): note
| filipendula ulmaria Search Trop Picture | |
| hemerocallis minor Search Trop Picture | |
| silk tree Search Trop Picture |
Synonyms:
| benzene, cyano- | |
| benzenecarbonitrile | |
| benzenenitrile | |
| benzoic acid nitrile | |
| cyanobenzene | |
| phenyl cyanide | |
| phenylcyanide |