4-(para-tolyl)-2-butanone
4-(p-tolyl)-2-butanone
 
Notes:
Flavouring ingredient
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      Product(s):
      7774-79-0 4-(4-Methylphenyl)-2-butanone
       
  • CSA
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CAS Number: 7774-79-0Picture of molecule3D/inchi
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
Pubchem Patents: Search
JECFA Food Flavoring: 817  4-(p-tolyl)-2-butanone
DG SANTE Food Flavourings: 07.026  4-(p-tolyl)butan-2-one
FEMA Number: 3074 4-(p-tolyl)-2-butanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7774-79-0 ; 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: 97.00 to 100.00 % 
Equivalence Factor for Assay: racemate
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 mmHg @ 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
 
 
Flavor Type: fruity
 
 sweet  fruity  
Taste Description:
intense sweet deep fruit
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
4-(4-Methylphenyl)-2-butanone
Parchem
4-(para-tolyl)-2-butanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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
Scientific Opinion on Flavouring Group Evaluation 69, Revision 1 (FGE.69Rev1): 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.16Rev2
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 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB36183
FooDB: FDB015037
ChemSpider: View
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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
aldehydic
2,6-dimethyl-2,18-nonadecadien-8-one 
3-methyl-4-hexyl oxybutyraldehydeFR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 ethyl cinnamateFL/FR
 guaiyl butyrateFR
berry
 currant fragranceFR
 gooseberry fragranceFR
 huckleberry fragranceFR
 raspberry ketone methyl etherFL/FR
caramellic
 maltyl isobutyrateFL/FR
citrus
(R)-citronellyl nitrileFR
 citronitrile (Symrise)FR
2-heptanolFL/FR
ethereal
3-cyclohexyl propyl acetate 
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
 benzyl isobutyrateFL/FR
 blue lagoon fragranceFR
 boronia specialtyFR
 cassie specialty (acacia farnesiana)FR
 cherry blossom fragranceFR
 citronellyl acetateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
 cymbopogon validus leaf oilFR
beta-damascenoneFL/FR
gamma-damasconeFR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,6-dimethyl-3-octyl acetateFR
 ethyl 2-benzyl butyrateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl ortho-anisateFL/FR
 eucalyptus macarthurii oilFR
pink frangipani absoluteFR
 gardenia absoluteFR
 gardenia decaloneFR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 hibiscus fragranceFR
 hyacinth etherFR
 ionone mixed isomersFL/FR
 jasmin cyclopentanoneFR
 jasmin fragranceFR
 jasmin oil CO2 extractFL/FR
 jasmin specialtyFR
isojasmoneFL/FR
 linalyl butyrateFL/FR
 longoza absolute replacerFR
 magnolia flower oil CO2 extractFL/FR
 magnolia specialtyFR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
1-(2-methyl allyl oxy)-3-methoxy-3-methyl-1-butaneFR
para-methyl benzyl acetateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
pink nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower absoluteFR
white nelumbo nucifera flower concreteFR
3-nonanon-1-yl acetateFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 orris rhizome concrete butter (iris pallida)FL/FR
 orris rhizome concrete replacerFR
 osmanthus absolute replacerFR
 osmanthus concreteFL/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
(S)-rhodinolFL/FR
 rhodinyl butyrateFL/FR
 rose undeceneFR
 souroubea specialtyFR
 star fruit oil cubaFL/FR
 stephanotis flower absolute replacerFR
 styralyl propionateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
fruity
 allyl benzoateFR
isoamyl propionateFL/FR
 apple crotonateFR
red apple fragranceFR
 apricot essenceFL/FR
 apricot isobutyrateFR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl propionateFL/FR
 benzyl valerateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 butyl 2-naphthyl etherFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
 butyl formateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
beta-damasconeFL/FR
 decanal methyl enol etherFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
(R)-gamma-dodecalactoneFL/FR
 eriocephalus punctulatus flower oilFR
 ethyl 4-phenyl butyrateFL/FR
 ethyl levulinateFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
 geranyl methyl tiglate 
 ginseneFR
 guava fragranceFR
 heptyl isobutyrateFL/FR
 hexyl formateFL/FR
 linalool oxide acetatesFL/FR
 melon fragranceFR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl bicycloheptenyl methyloxirane carboxylateFR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
(±)-3-methyl-gamma-decalactoneFL/FR
 myrasconeFR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
 papaya fragranceFR
 papaya specialtyFR
 peach nitrileFR
3-phenyl propyl isovalerateFL/FR
 plum crotonateFR
 plum damascone (high alpha)FR
 propyl isobutyrateFL/FR
 prune glycidateFR
 rhubarb pyranFR
 sambucus canadensis fruit absoluteFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
(R)-styralyl acetateFL/FR
 thesaron (Takasago)FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
cis-woody acetateFR
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-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
1-penten-3-olFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
herbal
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 geranium cyclohexaneFR
 marigold absolute (tagetes patula)FR
 methyl cyclogeranate (Firmenich)FR
isononyl acetateFR
 tagete oil madagascarFL/FR
 viridiflorolFL/FR
medicinal
ortho-cresyl acetateFL/FR
melon
 melon specialtyFR
mentholic
laevo-menthyl acetateFL/FR
powdery
para-anisyl acetateFL/FR
alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (74-80%)FL/FR
spicy
para-anisyl formateFL/FR
 crocus sativus stigma tinctureFR
 honey extractCS
 spicy acetoacetateFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
tropical
 triflaige A (ZEON)FR
 tropical 3-thiobutyrateFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
(E)-methyl geranateFL/FR
 phytyl acetateFL/FR
woody
2-decalinyl acetateFR
 melozol acetateFR
 rhubarb oxiraneFR
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
 benzyl valerateFL/FR
 butyl 2-naphthyl etherFL/FR
 butyl formateFL/FR
2-butyl thiopheneFL
ortho-cresyl acetateFL/FR
3-cyclohexyl propyl acetate 
2,4-difurfuryl furanFL
 dihydrocitronellyl acetateFL/FR
2,6-dimethyl-2,18-nonadecadien-8-one 
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(R)-gamma-dodecalactoneFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl 3-octenoateFL
 ethyl 4-phenyl butyrateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl ortho-anisateFL/FR
2-ethyl-4-methyl-1,3-oxathiane 
2-hexenalFL
4-hydroxyphenethyl alcoholFL
 ionone mixed isomersFL/FR
 linalool oxide acetatesFL/FR
 magnolia flower oil CO2 extractFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
(E)-methyl geranateFL/FR
2-nonanone propylene glycol acetalFL/FR
alpha-ocimeneFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-ol 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl isovalerateFL/FR
 phytyl acetateFL/FR
isopropyl benzoateFL/FR
(S)-rhodinolFL/FR
(R)-styralyl acetateFL/FR
 viridiflorolFL/FR
 vitispiraneFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
 decanal methyl enol etherFL/FR
alliaceous
 tropical thiazoleFL/FR
anisic
para-anisyl butyrateFL/FR
balsamic
 ethyl cinnamateFL/FR
berry
 heptyl isobutyrateFL/FR
 raspberry ketone methyl etherFL/FR
burnt
 ethyl 2-furoateFL
citrus
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 styralyl propionateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
4-ethyl octanoic acidFL/FR
 heptyl formateFL/FR
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
(S)-citronellyl acetateFL/FR
 citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 jasmin oil CO2 extractFL/FR
 linalyl butyrateFL/FR
2-methyl butyl 3-methyl butenoateFL
(E)-alpha-methyl ionone (74-80%)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 orris rhizome concrete butter (iris pallida)FL/FR
 rhodinyl butyrateFL/FR
 tropical iononeFL/FR
isoamyl propionateFL/FR
para-anisyl acetateFL/FR
 apricot essenceFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
3-benzyl-4-heptanoneFL/FR
isobutyl anthranilateFL/FR
 butyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl formateFL/FR
 citronellyl isobutyrateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl anthranilateFL/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
para-methyl benzyl acetateFL/FR
 methyl formateFL
alpha-methyl iononeFL/FR
3-nonanon-1-yl acetateFL/FR
 osmanthus concreteFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 propyl isobutyrateFL/FR
 sambucus canadensis fruit absoluteFL/FR
 star fruit oil cubaFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 tagete oil madagascarFL/FR
 terpinyl valerateFL/FR
green
isoamyl formateFL/FR
 cassis pentanoneFL/FR
(E)-citronellyl tiglateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexyl formateFL/FR
isojasmoneFL/FR
1-penten-3-olFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
jammy
 maltyl isobutyrateFL/FR
minty
laevo-menthyl acetateFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
 spicy acetoacetateFL/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
 butyl undecylenateFL/FR
(±)-3-methyl-gamma-decalactoneFL/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
Synonyms   Articles   Notes   Search   Top
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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