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

5-methyl-2-hexanone
2-hexanone, 5-methyl-

Supplier Sponsors

Name:5-methylhexan-2-one
CAS Number: 110-12-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-737-8
FDA UNII:6O4A4A5F28
Nikkaji Web:J36.968C
Beilstein Number:0506163
MDL:MFCD00008950
CoE Number:2144
XlogP3:1.90 (est)
Molecular Weight:114.18778000
Formula:C7 H14 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:herbicides / pesticides
 
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 clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.91300 @ 20.00 °C.
Refractive Index:1.40780 @ 20.00 °C.
Melting Point: -74.00 °C. @ 760.00 mm Hg
Boiling Point: 141.00 to 148.00 °C. @ 760.00 mm Hg
Vapor Pressure:5.197000 mmHg @ 25.00 °C. (est)
Vapor Density:3.94 ( Air = 1 )
Flash Point: 96.00 °F. TCC ( 36.00 °C. )
logP (o/w): 1.880
Soluble in:
 alcohol
 water, 2611 mg/L @ 25 °C (est)
 water, 5400 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Eastman Chemical
MIAK
98.5 wt % min.
EMD Millipore
For experimental / research use only.
5-Methyl-2-hexanone
Inoue Perfumery
isoAMYL METHYL KETONE
Penta International
METHYL ISOAMYL KETONE
Santa Cruz Biotechnology
For experimental / research use only.
5-Methyl-2-hexanone
Sigma-Aldrich
For experimental / research use only.
5-Methyl-2-hexanone 99%
Silver Fern Chemical
Methyl Isoamyl Ketone (MIAK)
Odor: characteristic
Use: MIAK is used for applications such as industrial coatings, resin solvents, thinners, polymerization solvents, and rubber intermediates.
TCI AMERICA
For experimental / research use only.
Isoamyl Methyl Ketone >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 20 - Harmful by inhalation.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
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 37/39 - Wear suitable gloves and eye/face protection.
 
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-rat LD50 3200 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES CARDIAC: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379

oral-mouse LD50 2542 mg/kg
Toxicology Letters. Vol. 30, Pg. 13, 1986.

intraperitoneal-mouse LD50 800 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES CARDIAC: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379

intraperitoneal-rat LDLo 400 mg/kg
CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379

Dermal Toxicity:
skin-rabbit LD50 10 ml/kg
Union Carbide Data Sheet. Vol. 8/7/1963

skin-guinea pig LD > 20 mL/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES CARDIAC: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379

Inhalation Toxicity:
inhalation-rat LC50 3813 ppm/6H
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535379

 
Safety in Use Information:
Category: herbicides / pesticides
Recommendation for 5-methyl-2-hexanone usage levels up to:
 not for fragrance use.
 
Recommendation for 5-methyl-2-hexanone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-12-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8034
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2302
WGK Germany:1
5-methylhexan-2-one
Chemidplus:0000110123
EPA/NOAA CAMEO:hazardous materials
RTECS:110-12-3
 
References:
 5-methylhexan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-12-3
Pubchem (cid):8034
Pubchem (sid):134974022
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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):HMDB31549
FooDB:FDB008160
Export Tariff Code:2914.19.0000
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Formulations/Preparations:
grade: 97.5%
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FL/FRpennyroyal
 
Occurrence (nature, food, other):note
 beef cooked beef
Search PMC Picture
 egg
Search PMC Picture
 papaya fruit
Search Trop Picture
 patchouli oil china @ 0.01%
Data GC Search Trop Picture
 tea black tea
Search Trop Picture
 
Synonyms:
isoamyl methyl ketone
isobutyl acetone
isobutylacetone
2-hexanone, 5-methyl-
 ketone, isopentyl methyl
 ketone, methyl isoamyl
5-methyl hexan-2-one
 methyl isoamyl ketone
 methyl isopentyl ketone
2-methyl-5-hexanone
5-methyl-hexan-2-one
5-methylhexan-2-one
 MIAK
isopentyl methyl ketone
 
 
Notes:
Volatile component in fruit pulp of papaya (Carica papaya), black tea aroma and in cooked beef and egg aroma
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