EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isovaleronitrile
butyronitrile, 3-methyl-

Supplier Sponsors

Name:3-methylbutanenitrile
CAS Number: 625-28-5Picture of molecule3D/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, Edge 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%
sds
TCI AMERICA
For experimental / research use only.
isoValeronitrile >98.0%(GC)
sds
 
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:
isoamylnitrile
 butanenitrile, 3-methyl-
isobutyl cyanide
 butyronitrile, 3-methyl-
3-methyl butane nitrile
3-methyl butyronitrile
3-methylbutane nitrile
3-methylbutanenitrile
3-methylbutyronitrile
2-methylpropionitrile
isopentane nitrile
 

Articles:

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.
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy