Articles:
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capronitrile
Notes:
None found
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| CAS Number: | 628-73-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 211-052-0 | |
| FDA UNII: | S1XKP5498P | |
| Nikkaji Web: | J6.881K | |
| Beilstein Number: | 1633601 | |
| MDL: | MFCD00001979 | |
| XlogP3: | 1.70 (est) | |
| Molecular Weight: | 97.16067000 | |
| Formula: | C6 H11 N | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
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:
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.80600 to 0.81000 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 6.715 to 6.748 |
| Refractive Index: | 1.40500 to 1.40900 @ 20.00 °C. |
| Melting Point: | 163.00 to 164.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 163.60 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.961000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 110.00 °F. TCC ( 43.00 °C. ) |
| logP (o/w): | 1.660 |
| Soluble in: | |
| alcohol | |
| water, 2475 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Hexanenitrile |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Hexanenitrile 98% |
| TCI AMERICA |
| For experimental / research use only. |
| Hexanenitrile >97.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 10 - Flammable. R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37 - Wear suitable protective clothing and gloves. | |
| 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-mouse LD50 463 mg/kg Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984. intravenous-rabbit LDLo 42 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. | |
| Dermal Toxicity: | |
|
subcutaneous-guinea pig LDLo 310 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for hexane nitrile usage levels up to: | |||
| 0.0100 % in the fragrance concentrate. | |||
| Recommendation for hexane 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): | 628-73-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12352 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 3 |
| hexanenitrile | |
| Chemidplus: | 0000628739 |
| RTECS: | MO3900000 for cas# 628-73-9 |
References:
| hexanenitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12352 |
| Pubchem (sid): | 134976023 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB014346 |
| Export Tariff Code: | 2926.90.5050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| egg cooked egg Search PMC Picture | |
| kohlrabi stem Search Trop Picture |
Synonyms:
| capronitrile | |
| N- | capronitrile |
| 1- | cyanopentane |
| hexanenitrile | |
| hexanonitrile | |
| pentyl cyanide | |
| tricapronile |