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

4-(para-tolyl)-2-butanone
4-(p-tolyl)-2-butanone

Sponsors

Name: 4-(4-methylphenyl)butan-2-one
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
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.
 
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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
4-(para-tolyl)-2-butanone
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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: 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
 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: --
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
aldehydic
aldehydic
3-
methyl-4-hexyl oxybutyraldehyde
FR
balsamic
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
ethyl cinnamate
FL/FR
guaiyl butyrate
FR
berry
raspberry ketone methyl ether
FL/FR
caramellic
maltyl isobutyrate
FL/FR
citrus
(R)-
citronellyl nitrile
FR
citronitrile (Symrise)
FR
2-
heptanol
FL/FR
fatty
butyl undecylenate
FL/FR
4-
ethyl octanoic acid
FL/FR
fermented
methyl decanoate
FL/FR
floral
acetal 318
FR
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
para-
anisyl butyrate
FL/FR
benzyl acetate
FL/FR
benzyl acetoacetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
blue lagoon fragrance
FR
(S)-
citronellyl acetate
FL/FR
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl formate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
(E)-
citronellyl tiglate
FL/FR
3-
cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR
cymbopogon validus leaf oil
FR
beta-
damascenone
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,6-
dimethyl-3-octyl acetate
FR
ethyl anthranilate
FL/FR
ethyl ethyl anthranilate
FL/FR
ethyl ortho-anisate
FL/FR
eucalyptus macarthurii oil
FR
pink
frangipani absolute
FR
gardenia absolute
FR
gardenia decalone
FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
hibiscus fragrance
FR
hyacinth ether
FR
ionone mixed isomers
FL/FR
jasmin cyclopentanone
FR
iso
jasmone
FL/FR
linalyl butyrate
FL/FR
magnolia specialty
FR
menthadienyl formate
FR
ortho-
methoxybenzyl ethyl ether
FR
methoxymelonal
FL/FR
1-(2-
methyl allyl oxy)-3-methoxy-3-methyl-1-butane
FR
para-
methyl benzyl acetate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
methyl ionyl acetate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
pink
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower absolute
FR
white
nelumbo nucifera flower concrete
FR
3-
nonanon-1-yl acetate
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
osmanthus absolute replacer
FR
osmanthus concrete
FL/FR
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
phenethyl isovalerate
FL/FR
phenyl glycol diacetate
FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
iso
propyl benzoate
FL/FR
propyl salicylate
FR
rhodinyl butyrate
FL/FR
rose undecene
FR
souroubea specialty
FR
star fruit oil cuba
FL/FR
styralyl propionate
FL/FR
terpinyl valerate
FL/FR
tetrahydroionyl acetate
FR
fruity
allyl benzoate
FR
iso
amyl propionate
FL/FR
apple crotonate
FR
apricot essence
FL/FR
apricot isobutyrate
FR
benzaldehyde / methyl anthranilate schiff's base
FR
benzyl propionate
FL/FR
benzyl valerate
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
butyl 2-naphthyl ether
FL/FR
iso
butyl anthranilate
FL/FR
butyl anthranilate
FL/FR
butyl formate
FL/FR
iso
butyl furyl propionate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
(R)-gamma-
dodecalactone
FL/FR
eriocephalus punctulatus flower oil
FR
ethyl 4-phenyl butyrate
FL/FR
ethyl levulinate
FL/FR
ginsene
FR
heptyl isobutyrate
FL/FR
hexyl formate
FL/FR
linalool oxide acetates
FL/FR
3-
mercaptohexyl acetate
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl bicycloheptenyl methyloxirane carboxylate
FR
methyl isobutyrate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
myrascone
FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
peach nitrile
FR
3-
phenyl propyl isovalerate
FL/FR
plum crotonate
FR
plum damascone (high alpha)
FR
propyl isobutyrate
FL/FR
prune glycidate
FR
rhubarb pyran
FR
sambucus canadensis fruit absolute
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
(R)-
styralyl acetate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
cis-
woody acetate
FR
green
iso
amyl 3-(2-furan) propionate
FL/FR
iso
amyl formate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
iso
green methanoindene
FR
heptanal dimethyl acetal
FL/FR
heptyl formate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
magnolia flower oil CO2 extract
FL/FR
1-
penten-3-ol
FL/FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
herbal
chamomile isobutyrate
FR
chamomile propionate
FR
chamomile valerate
FR
clary propyl acetate
FR
geranium cyclohexane
FR
methyl cyclogeranate (Firmenich)
FR
tagete oil madagascar
FL/FR
viridiflorol
FL/FR
medicinal
ortho-
cresyl acetate
FL/FR
powdery
para-
anisyl acetate
FL/FR
alpha-
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (74-80%)
FL/FR
spicy
para-
anisyl formate
FL/FR
honey extract
CS
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
triflaige A
FR
tropical 3-thiobutyrate
FL/FR
waxy
dihydrocitronellyl acetate
FL/FR
(E)-
methyl geranate
FL/FR
phytyl acetate
FL/FR
woody
2-
decalinyl acetate
FR
melozol acetate
FR
rhubarb oxirane
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
iso
amyl 3-methyl thiopropionate
FL
iso
amyl angelate
FL/FR
amyl angelate
FL
benzyl valerate
FL/FR
butyl 2-naphthyl ether
FL/FR
butyl formate
FL/FR
2-
butyl thiophene
FL
ortho-
cresyl acetate
FL/FR
2,4-
difurfuryl furan
FL
dihydrocitronellyl acetate
FL/FR
S-(2,5-
dimethyl-3-furyl) ethane thioate
FL
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-one
FL/FR
(R)-gamma-
dodecalactone
FL/FR
ethyl 3-hydroxyoctanoate
FL
ethyl 3-octenoate
FL
ethyl 4-phenyl butyrate
FL/FR
ethyl ethyl anthranilate
FL/FR
ethyl ortho-anisate
FL/FR
2-
hexenal
FL
4-
hydroxyphenethyl alcohol
FL
ionone mixed isomers
FL/FR
linalool oxide acetates
FL/FR
magnolia flower oil CO2 extract
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
(E)-
methyl geranate
FL/FR
(±)-3-
methyl-gamma-decalactone
FL/FR
2-
nonanone propylene glycol acetal
FL/FR
alpha-
ocimene
FL/FR
1-
phenyl propyl butyrate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
3-
phenyl propyl isovalerate
FL/FR
phytyl acetate
FL/FR
iso
propyl benzoate
FL/FR
(R)-
styralyl acetate
FL/FR
viridiflorol
FL/FR
vitispirane
FL
iso
amyl 3-(2-furan) propionate
FL/FR
benzyl acetoacetate
FL/FR
iso
butyl furyl propionate
FL/FR
beta-
damascone
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
anisic
para-
anisyl butyrate
FL/FR
balsamic
ethyl cinnamate
FL/FR
berry
heptyl isobutyrate
FL/FR
raspberry ketone methyl ether
FL/FR
burnt
ethyl 2-furoate
FL
citrus
petitgrain lemon oil
FL/FR
petitgrain mandarin oil
FL/FR
styralyl propionate
FL/FR
ethereal
methyl isobutyrate
FL/FR
fatty
4-
ethyl octanoic acid
FL/FR
heptyl formate
FL/FR
methyl decanoate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
floral
(S)-
citronellyl acetate
FL/FR
citronellyl acetate
FL/FR
citronellyl hexanoate
FL/FR
citronellyl propionate
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geraniol
FL/FR
geranyl isobutyrate
FL/FR
linalyl butyrate
FL/FR
2-
methyl butyl 3-methyl butenoate
FL
(E)-alpha-
methyl ionone (74-80%)
FL/FR
alpha-iso
methyl ionone (90% min.)
FL/FR
orris rhizome concrete butter (iris pallida)
FL/FR
rhodinyl butyrate
FL/FR
tropical ionone
FL/FR
fruity
iso
amyl propionate
FL/FR
para-
anisyl acetate
FL/FR
apricot essence
FL/FR
benzyl acetate
FL/FR
benzyl formate
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
3-
benzyl-4-heptanone
FL/FR
iso
butyl anthranilate
FL/FR
butyl anthranilate
FL/FR
citronellyl butyrate
FL/FR
citronellyl formate
FL/FR
citronellyl isobutyrate
FL/FR
(E)-beta-
damascone
FL/FR
(Z)-beta-
damascone
FL/FR
alpha,alpha-
dimethyl benzyl isobutyrate
FL/FR
ethyl anthranilate
FL/FR
ethyl levulinate
FL/FR
2-
heptanol
FL/FR
2-
hexyl-4-acetoxytetrahydrofuran
FL
methoxymelonal
FL/FR
methyl (Z)-3-hexenoate
FL/FR
methyl 4-phenyl butyrate
FL
para-
methyl benzyl acetate
FL/FR
methyl formate
FL
alpha-
methyl ionone
FL/FR
3-
nonanon-1-yl acetate
FL/FR
osmanthus concrete
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl-4-pentenal
FL
propyl isobutyrate
FL/FR
sambucus canadensis fruit absolute
FL/FR
star fruit oil cuba
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
tagete oil madagascar
FL/FR
terpinyl valerate
FL/FR
green
iso
amyl formate
FL/FR
cassis pentanone
FL/FR
(E)-
citronellyl tiglate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
hexyl formate
FL/FR
iso
jasmone
FL/FR
1-
penten-3-ol
FL/FR
honey
phenethyl acetate
FL/FR
phenethyl isobutyrate
FL/FR
jammy
maltyl isobutyrate
FL/FR
spicy
para-
anisyl formate
FL/FR
benzyl cinnamate
FL/FR
cinnamyl formate
FL/FR
spicy acetoacetate
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
3-
mercaptohexyl acetate
FL/FR
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
butyl undecylenate
FL/FR
4-
phenyl-3-buten-2-ol
FL/FR
woody
beta-
damascenone
FL/FR
methyl ionyl acetate
FL/FR
 
Potential Uses:
 fruitFR
 gardeniaFR
 plumFR
 raspberryFR
 
Occurrence (nature, food, other): note
 not found in nature
 
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
 

Articles:

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Notes:
Flavouring ingredient
 
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