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

2-methyl butyronitrile

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CAS Number: 18936-17-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:242-687-1
Nikkaji Web:J77.618A
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
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 125.00 °C. @ 760.00 mm Hg
Boiling Point: 127.00 to 128.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:11.198000 mmHg @ 25.00 °C. (est)
Flash Point: 76.00 °F. TCC ( 24.40 °C. ) (est)
logP (o/w): 1.050
Soluble in:
 water, 8889 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
2-Methylbutyronitrile 95%
Lonza Group
2-Methylbutyronitrile BN,2-Me 80
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methylbutyronitrile Lonza quality, ≥80.0% (GC)
For experimental / research use only.
2-Methylbutyronitrile >95.0%(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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-mouse LD50 23839 mg/kg
Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for 2-methyl butyronitrile usage levels up to:
 not for fragrance use.
Recommendation for 2-methyl butyronitrile flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :29339
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
RTECS:EU0530000 for cas# 18936-17-9
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):29339
Pubchem (sid):134992074
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
Export Tariff Code:2926.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
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2-methyl butane nitrile
2-methyl butanone cyanohydrin
alpha-methyl butyronitrile


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