Articles:
butyronitrile, 3-methyl-
Notes:
None found
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| CAS Number: | 625-28-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 210-884-1 | |
| FDA UNII: | N2G72X091L | |
| Nikkaji Web: | J6.858F | |
| Beilstein Number: | 1734239 | |
| MDL: | MFCD00001944 | |
| XlogP3: | 1.10 (est) | |
| Molecular Weight: | 83.13373000 | |
| Formula: | C5 H9 N | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.79100 to 0.80000 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 6.590 to 6.665 |
| Refractive Index: | 1.39200 to 1.39400 @ 20.00 °C. |
| Melting Point: | -72.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 127.00 to 128.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 11.198000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 83.00 °F. TCC ( 28.33 °C. ) |
| logP (o/w): | 1.070 |
| Soluble in: | |
| alcohol | |
| water, 8546 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| isoValeronitrile |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| isoValeronitrile 98% |
| TCI AMERICA |
| For experimental / research use only. |
| isoValeronitrile >98.0%(GC) |
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-mouse LD50 233 mg/kg Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984. parenteral-mouse LDLo 400 mg/kg "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 690, 1955. | |
| Dermal Toxicity: | |
|
subcutaneous-frog LDLo 3800 mg/kg CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION 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 43400 ug/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for isovaleronitrile usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for isovaleronitrile 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): | 625-28-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12244 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-methylbutanenitrile | |
| Chemidplus: | 0000625285 |
| RTECS: | NY1750000 for cas# 625-28-5 |
References:
| 3-methylbutanenitrile | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12244 |
| Pubchem (sid): | 134977705 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| 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
| nicotiana forgetiana Search Trop Picture | |
| tomato Search Trop Picture |
Synonyms:
| iso | amylnitrile |
| butanenitrile, 3-methyl- | |
| iso | butyl cyanide |
| butyronitrile, 3-methyl- | |
| 3- | methyl butane nitrile |
| 3- | methyl butyronitrile |
| 3- | methylbutane nitrile |
| 3- | methylbutanenitrile |
| 3- | methylbutyronitrile |
| 2- | methylpropionitrile |
| iso | pentane nitrile |