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4-methyl-3-heptanone
3-heptanone, 4-methyl-

Supplier Sponsors

Name:4-methylheptan-3-one
CAS Number: 6137-11-7Picture of molecule3D/inchi
Other(deleted CASRN):70004-03-4
FDA UNII: Search
Nikkaji Web:J104.422B
XlogP3-AA:2.40 (est)
Molecular Weight:128.21472000
Formula:C8 H16 O
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
FEMA Number:4966
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 159.93 °C. @ 760.00 mm Hg (est)
Vapor Pressure:2.444000 mmHg @ 25.00 °C. (est)
Flash Point: 112.00 °F. TCC ( 44.60 °C. ) (est)
logP (o/w): 2.350 (est)
Soluble in:
 water, 1371 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Methyl-3-heptanone
 
Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 4-methyl-3-heptanone usage levels up to:
 not for fragrance use.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 30
Click here to view publication 30
 average usual ppmaverage maximum ppm
baked goods: 1.000005.00000
beverages(nonalcoholic): 0.500002.00000
beverages(alcoholic): 0.500002.00000
breakfast cereal: 1.000005.00000
cheese: 0.500002.00000
chewing gum: --
condiments / relishes: 0.500002.00000
confectionery froastings: --
egg products: --
fats / oils: 2.000008.00000
fish products: --
frozen dairy: 1.000005.00000
fruit ices: 0.500002.00000
gelatins / puddings: 0.500002.00000
granulated sugar: --
gravies: 1.000005.00000
hard candy: 1.000005.00000
imitation dairy: 0.500002.00000
instant coffee / tea: 0.500002.00000
jams / jellies: --
meat products: 1.000005.00000
milk products: 0.500002.00000
nut products: 0.500002.00000
other grains: 0.500002.00000
poultry: 1.000005.00000
processed fruits: 0.500002.00000
processed vegetables: 0.500002.00000
reconstituted vegetables: 0.500002.00000
seasonings / flavors: --
snack foods: 1.000005.00000
soft candy: 1.000005.00000
soups: 0.500002.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):6137-11-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22512
National Institute of Allergy and Infectious Diseases:Data
4-methylheptan-3-one
Chemidplus:0006137117
 
References:
 4-methylheptan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22512
Pubchem (sid):134986893
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
HMDB (The Human Metabolome Database):Search
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
 neofinetia falcata
Search Trop Picture
 
Synonyms:
3-heptanone, 4-methyl-
4-methylheptan-3-one
 
 
Notes:
the principal alarm phermone of atta texana & atta cephalotes.
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