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

2-methyl-3-butanone
propionaldehyde, 1,2-dimethyl-

Supplier Sponsors

CAS Number: 563-80-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-264-3
FDA UNII:V8DP6THY5O
Nikkaji Web:J43.513I
Beilstein Number:1071238
MDL:MFCD00008919
CoE Number:11131
XlogP3:0.80 (est)
Molecular Weight:86.13390000
Formula:C5 H10 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:07.178 (Old)
DG SANTE Food Flavourings:07.178 3-methylbutan-2-one
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.80100 to 0.80700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.665 to 6.715
Refractive Index:1.38700 to 1.39300 @ 20.00 °C.
Melting Point: -92.00 °C. @ 760.00 mm Hg
Boiling Point: 94.00 °C. @ 760.00 mm Hg
Vapor Pressure:93.251999 mmHg @ 25.00 °C. (est)
Flash Point: 33.00 °F. TCC ( 0.50 °C. )
logP (o/w): 0.840
Soluble in:
 alcohol
 water, 2.436e+004 mg/L @ 25 °C (est)
 water, 6.08E+04 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Odor Description:at 0.10 % in dipropylene glycol. camphor
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Eastman Chemical
Eastman™ MIPK (Methyl Isopropyl Ketone)
Odor: characteristic
Use: Eastman™ Methyl Isopropyl Ketone (MIPK) is a water-white liquid having a low boiling point. This ketone is used primarily in industrial applications as a chemical intermediate and as a process solvent.
EMD Millipore
For experimental / research use only.
Isopropyl methyl ketone
Penta International
3-METHYL-2-BUTANONE
Santa Cruz Biotechnology
For experimental / research use only.
2-Methyl-3-butanone
Sigma-Aldrich
For experimental / research use only.
2-Methyl-3-butanone 99%
Synerzine
2-Methyl-3-butanone
TCI AMERICA
For experimental / research use only.
2-Methyl-3-butanone >99.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 36/37/39 - Wear suitable clothing, 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-mouse LD50 [sex: M] 2572 mg/kg
(Tanii et al., 1986)

oral-rat LD50 148 mg/kg
(Kennedy & Graepel, 1991)

intraperitoneal-rat LD50 800 mg/kg
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4737, 1982.

intraperitoneal-mouse LD50 200 mg/kg
"Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4737, 1982.

oral-mouse LD50 2572 mg/kg
Toxicology Letters. Vol. 30, Pg. 13, 1986.

oral-rat LD50 148 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.

Dermal Toxicity:
skin-rabbit LD50 6350 mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 819, 1978.

Inhalation Toxicity:
inhalation-rat LCLo 5700 ppm/4H
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
NLM Hazardous Substances Data Bank:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):563-80-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11251
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2397
WGK Germany:1
3-methylbutan-2-one
Chemidplus:0000563804
EPA/NOAA CAMEO:hazardous materials
RTECS:563-80-4
 
References:
 3-methylbutan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:563-80-4
Pubchem (cid):11251
Pubchem (sid):134978221
Flavornet:563-80-4
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
UM BBD:Search
HMDB (The Human Metabolome Database):Search
FooDB:FDB006736
Export Tariff Code:2914.19.0000
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 beans
Search PMC Picture
 beef boiled beef
Search PMC Picture
 beef fat
Search PMC Picture
 beer
Search PMC Picture
 brassica napus ssp. oleifera
Search Trop Picture
 bread wheat bread
Search PMC Picture
 caviar
Search PMC Picture
 cheese gruyere cheese
Search PMC Picture
 cheese mozzarella cheese
Search PMC Picture
 cheese parmesan cheese
Search PMC Picture
 chicken roasted chicken
Search PMC Picture
 clam
Search PMC Picture
 coffee
Search PMC Picture
 cognac
Search PMC Picture
 grape
Search Trop Picture
 guava fruit
Search Trop Picture
 guava peel
Search Trop Picture
 guinea hen
Search PMC Picture
 honey
Search PMC Picture
 hop oil
Search Trop Picture
 milk water buffalo milk
 monstera deliciosa
Search Trop Picture
 mushroom shiitake mushroom
Search PMC Picture
 olive
Search Trop Picture
 osmanthus
Search Trop Picture
 peanut roasted peanut
Search Trop Picture
 plum hog plum
Search PMC Picture
 pork
Search PMC Picture
 potato cooked potato
Search Trop Picture
 potato plant
Search Trop Picture
 star fruit fruit
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 tea rooibos tea
Search Trop Picture
 
Synonyms:
2-acetyl propane
2-acetylpropane
2-butanone, 3-methyl-
isobutanone, methyl-
 ketone, isopropyl methyl
3-methyl butan-2-one
3-methyl butanone
 methyl isopropyl ketone
2-methyl-3-butanone
3-methylbutan-2-one
3-methylbutanone
 MIPK
 propionaldehyde, 1,2-dimethyl-
isopropyl methyl ketone
 
 
Notes:
None found
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