4-(para-tolyl)-2-butanone
4-(p-tolyl)-2-butanone
 
Notes:
Flavouring ingredient
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4-(4-methylphenyl)butan-2-one (Click)
CAS Number: 7774-79-0Picture of molecule
FDA UNII: B98IK70Y98
Nikkaji Web: J1.536.526I
CoE Number: 160
XlogP3-AA: 2.20 (est)
Molecular Weight: 162.23178000
Formula: C11 H14 O
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
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 817  4-(p-tolyl)-2-butanone
Flavis Number: 07.026 (Old)
DG SANTE Food Flavourings: 07.026  4-(p-tolyl)butan-2-one
FEMA Number: 3074  4-(p-tolyl)-2-butanone
FDA Mainterm: 4-(P-TOLYL)-2-BUTANONE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98100 to 0.98800 @  25.00 °C.
Pounds per Gallon - (est).: 8.163 to  8.221
Refractive Index: 1.50300 to 1.50800 @  20.00 °C.
Boiling Point: 243.00 to  244.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.029000 mm/Hg @ 25.00 °C. (est)
Flash Point: 221.00 °F. TCC ( 105.00 °C. )
logP (o/w): 2.491 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 479.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: high ,
recommend smelling in a 1.00 % solution or less
 sweet  fruity  floral  raspberry  plum  gardenia  
Odor Description:
at 1.00 % in dipropylene glycol. 
very sweet fruity floral raspberry plum gardenia
 sweet  fruity  
Taste Description:
intense sweet deep fruit
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
4-(para-tolyl)-2-butanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 4-(para-tolyl)-2-butanone usage levels up to:
  1.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
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: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -6.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.50000
fruit ices: -1.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -6.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of aromatic substituted secondary alcohols, ketones, and related esters used as flavor ingredients.View pdf
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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5463908
National Institute of Allergy and Infectious Diseases: Data
 4-(4-methylphenyl)butan-2-one
Chemidplus: 0007774790
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References:
 4-(4-methylphenyl)butan-2-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7774-79-0
Pubchem (cid): 5463908
Pubchem (sid): 135264836
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB36183
FooDB: FDB015037
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 ethyl cinnamateFL/FR
 guaiyl butyrateFR
caramellic
 maltyl isobutyrateFL/FR
citrus
2-heptanolFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
para-anisyl butyrateFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
beta-damascenoneFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl ortho-anisateFL/FR
pink frangipani absoluteFR
 gardenia absoluteFR
 gardenia decaloneFR
 geraniolFL/FR
 hyacinth etherFR
 menthadienyl formateFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
3-nonanon-1-yl acetateFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenyl glycol diacetateFR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
isopropyl benzoateFL/FR
 propyl salicylateFR
 rose undeceneFR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
isoamyl propionateFL/FR
 apple crotonateFR
 apricot isobutyrateFR
 benzaldehyde / methyl anthranilate schiff's baseFR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
 butyl formateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl 4-phenyl butyrateFL/FR
 ethyl levulinateFL/FR
 geranyl methyl tiglate 
 heptyl isobutyrateFL/FR
 hexyl formateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
3-phenyl propyl isovalerateFL/FR
 plum crotonateFR
 propyl isobutyrateFL/FR
 prune glycidateFR
 raspberry ketone methyl etherFL/FR
 rhubarb pyranFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
isogreen methanoindeneFR
 heptanal dimethyl acetalFL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
1-penten-3-olFL/FR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 methyl cyclogeranateFR
 viridiflorolFL/FR
powdery
para-anisyl acetateFL/FR
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
woody
2-decalinyl acetateFR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
isoamyl 3-methyl thiopropionateFL
 amyl angelateFL
isoamyl angelateFL/FR
para-anisyl butyrateFL/FR
 butyl formateFL/FR
2-butyl thiopheneFL
 cinnamyl formateFL/FR
(Z)-beta-damasconeFL/FR
2,4-difurfuryl furanFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
 ethyl 3-octenoateFL
 ethyl 4-phenyl butyrateFL/FR
 ethyl ortho-anisateFL/FR
2-hexenalFL
 hexyl formateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
3-nonanon-1-yl acetateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl isovalerateFL/FR
isopropyl benzoateFL/FR
 viridiflorolFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
balsamic
 ethyl cinnamateFL/FR
berry
 heptyl isobutyrateFL/FR
 raspberry ketone methyl etherFL/FR
burnt
 ethyl 2-furoateFL
caramellic
 maltyl isobutyrateFL/FR
citrus
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 butyl undecylenateFL/FR
4-ethyl octanoic acidFL/FR
 heptyl formateFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 benzyl acetoacetateFL/FR
 citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 tropical iononeFL/FR
fruity
isoamyl propionateFL/FR
para-anisyl acetateFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
3-benzyl-4-heptanoneFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl isobutyrateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl levulinateFL/FR
 geranyl methyl tiglate 
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl formateFL
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 propyl isobutyrateFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
 cassis pentanoneFL/FR
beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
1-penten-3-olFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
alpha-methyl iononeFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
beta-damascenoneFL/FR
 methyl ionyl acetateFL/FR
 
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Potential Uses:
 fruitFR
 gardeniaFR
 plumFR
 raspberryFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-butanone, 4-(4-methylphenyl)-
2-butanone, 4-p-tolyl-
p-methyl benzyl acetone
para-methyl benzyl acetone
4-(4-methyl phenyl)-2-butanone
p-methylbenzyl acetone
para-methylbenzyl acetone
p-methylbenzylacetone
 methylbenzylacetone, p-
4-(4-methylphenyl)-2-butanone
4-(4-methylphenyl)butan-2-one
4-(p-tolyl) butan-2-one
4-(para-tolyl) butan-2-one
4-(4-tolyl)-2-butanone
4-(p-tolyl)-2-butanone
4-(p-tolyl)butan-2-one
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