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4-(para-tolyl)-2-butanone

Chemical Structure

General Material Information

Preferred name 4-(para-tolyl)-2-butanone
Trivial Name 4-(4-Methylphenyl)-2-butanone
Short Description 4-(p-tolyl)-2-butanone
Formula C11 H14 O
CAS Number 7774-79-0
FEMA Number 3074
Flavis Number 7.026
FDA UNII B98IK70Y98
Nikkaji Number J1.536.526I
COE Number 160
xLogP3-AA 2.20 (est)
NMR Predictor External link
JECFA Food Flavoring 817 4-(p-tolyl)-2-butanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7774-79-0 ; 4-(P-TOLYL)-2-BUTANONE
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
  • 4-(4-methylphenyl)butan-2-one
  • 2-Butanone, 4-(4-methylphenyl)-
  • 2-Butanone, 4-p-tolyl-
  • 4-(4-Methylphenyl)-2-butanone
  • p-Methylbenzylacetone
  • 4-(4-Tolyl)-2-butanone
  • 4-(p-Tolyl)-2-butanone

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 162.23178100586
Specific gravity @ 25 °C
Pounds per Gallon 8.163 to 8.221
Refractive Index 1.503 to 1.508 @ 20 °C
Boiling Point 243 to 244°C @ 760 mm Hg
Vapor Pressure 0.029 mmHg @ 25 °C
Flash Point TCC Value 105 °C TCC
logP (o/w) 2.491 est
Solubility
alcohol Yes
water, very slightly Yes
water, 479.2 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, floral, raspberry, plum, gardenia
General comment At 1.00 % in dipropylene glycol. very sweet fruity floral raspberry plum gardenia
Flavor Type: Fruity
sweet, fruity
General comment Intense sweet deep fruit

Potential Uses

Applications
Odor purposes Fruit, Gardenia, Plum, Raspberry

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
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: --

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 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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