isovaleronitrile
butyronitrile, 3-methyl-
Identification
| Name | isovaleronitrile |
| IUPAC | 3-methylbutanenitrile |
| CAS Number | 625-28-5 |
| EINECS | 210-884-1 |
| FDA UNII | N2G72X091L |
| Molecular Formula | C5 H9 N |
| Molecular Weight | 83.13373000 |
| MDL Number | MFCD00001944 |
| Nikkaji Number | J6.858F |
| Beilstein | 1734239 |
| XlogP3 | 1.10 (est) |
Regulatory
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 |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-mouse LD50 233 mg/kg |
| Dermal Toxicity | subcutaneous-frog LDLo 3800 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements', 'CARDIAC: OTHER CHANGES\nLUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE', 'PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE\nLUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION']
Safety in Use
| 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. |
Potential Uses
Natural Occurrence
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
PubMed:
Novel catalytic activity of nitrile hydratase from Rhodococcus sp. N771.
PubMed:
Nitrilase of Rhodococcus rhodochrous J1. Conversion into the active form by subunit association.
PubMed:
Analysis of wool fiber by alkali-catalyzed pyrolysis gas chromatography.
PubMed:
A stereoselective cobalt-containing nitrile hydratase.
PubMed:
Transcriptional regulation of the Rhodococcus rhodochrous J1 nitA gene encoding a nitrilase.
PubMed:
Cyanoglucosides from Osmaronia cerasiformis (Rosaceae).
PubMed:
Mechanistic and structural studies on Rhodococcus ATCC 39484 nitrilase.
PubMed:
A novel nitrilase, arylacetonitrilase, of Alcaligenes faecalis JM3. Purification and characterization.
PubMed:
Nitrilase of Rhodococcus rhodochrous J1. Purification and characterization.
PubMed:
Disposition kinetics and urinary excretion of verapamil and some of its primary metabolites after oral administration in patients with angina pectoris.