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para-anisyl methyl ketone

Chemical Structure

General Material Information

Preferred name para-anisyl methyl ketone
Trivial Name 4-Methoxyphenylacetone
Short Description 1-(p-methoxyphenyl)-2-propanone
Formula C10 H12 O2
CAS Number 122-84-9
FEMA Number 2674
Flavis Number 7.087
ECHA Number 204-578-7
FDA UNII 6XYW3YJJ33
Nikkaji Number J31.118I
Beilstein Number 2044332
MDL MFCD00008773
COE Number 11836
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 813 1-(p-methoxyphenyl)-2-propanone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 122-84-9 ; 1-(P-METHOXYPHENYL)-2-PROPANONE
Synonyms
  • acetone, 1-(4-methoxyphenyl)-
  • p- acetonylanisole
  • para- acetonylanisole
  • anise ketone
  • anisic ketone
  • anisic ketone (natural)
  • anisyl ketone
  • anisyl methyl ketone
  • p- anisyl methyl ketone
  • 1-(p- anisyl)-2-propanone
  • 1-(para- anisyl)-2-propanone
  • p- methoxy phenylacetone
  • 1-(4-methoxy-phenyl)-propan-2-one
  • 4-methoxybenzyl methyl ketone
  • p- methoxybenzyl methyl ketone
  • para- methoxybenzyl methyl ketone
  • 4-methoxyphenyl acetone
  • p- methoxyphenyl acetone
  • para- methoxyphenyl acetone
  • 4'- methoxyphenyl-2-propanone
  • (p- methoxyphenyl)-2-propanone
  • (para- methoxyphenyl)-2-propanone
  • 1-(4-methoxyphenyl)-2-propanone
  • 1-(p- methoxyphenyl)-2-propanone
  • 1-(para- methoxyphenyl)-2-propanone
  • 1-(4-methoxyphenyl)acetone
  • 1-(4-methoxyphenyl)propan-2-one
  • 4-methoxyphenylacetone
  • para- methoxyphenylacetone
  • 2-propanone, 1-(4-methoxyphenyl)-
  • 1-(4-methoxyphenyl)propan-2-one
  • 2-Propanone, 1-(4-methoxyphenyl)-
  • 2-Propanone, 1-(p-methoxyphenyl)-
  • 2-Propanone, (p-methoxyphenyl)-
  • 1-(4-Methoxyphenyl)-2-propanone
  • p-Acetonylanisole
  • Anisketone
  • 1-(p-Methoxyphenyl)-2-propanone
  • p-Methoxybenzyl methyl ketone
  • 4-Methoxybenzyl methyl ketone
  • p-Methoxyphenylacetone
  • p-Anisylacetone
  • 4-Methoxyphenylacetone
  • 1-(p-Anisyl)-2-propanone
  • 4′-Methoxyphenyl-2-propanone
  • 1-(4-Methoxyphenyl)acetone
  • NSC 22983
  • NSC 46101
  • 3-(4-Methoxyphenyl)propan-2-one

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32891
FooDB:FDB010873
Export Tariff Code:2914.50.2000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 164.20404052734
Specific gravity @ 25 °C
Pounds per Gallon 8.879 to 8.928
Refractive Index 1.52 to 1.53 @ 20 °C
Boiling Point 267 to 268°C @ 760 mm Hg
Vapor Pressure 0.008 mmHg @ 25 °C
Flash Point TCC Value 101.67 °C TCC
logP (o/w) 1.658 est
Solubility
alcohol Yes
water, very slightly Yes
water, 3084 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
sweet, fruity, creamy, spicy, green, anisic, balsamic, licorice, fennel
Luebke, William tgsc, (2017) At 10.00 % in dipropylene glycol. sweet fruity creamy spicy green anisic balsamic licorice fennel
Mosciano, Gerard P&F 15, No. 1, 19, (1990) Sweet, fruity spicy, with anisic balsamic nuances
Flavor Type: Spicy
sweet, spicy, anisic, fennel, licorice, green, grassy, minty, root beer
Luebke, William tgsc, (2017) Sweet spicy anisic fennel licorice green grassy minty root beer
Mosciano, Gerard P&F 15, No. 1, 19, (1990) At 15.00 ppm. Sweet spicy, with green anisic, minty nuances

Occurrences

Potential Uses

Applications
Odor purposes Cherry, Cinnamon, Fennel, Valerian, Vanilla
Flavoring purposes Valerian
Other purposes Oral care agents
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 3.33 ml/kg
(Levenstein, 1976f)

intraperitoneal-mouse LD50 560 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: TREMOR
Journal of Pharmaceutical Sciences. Vol. 60, Pg. 799, 1971.

oral-rat LD50 3330 mg/kg
BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: TREMOR BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Food and Cosmetics Toxicology. Vol. 17, Pg. 857, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 857, 1979.

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 para-anisyl methyl ketone usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (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: 4.400006.00000
beverages(nonalcoholic): 0.600002.80000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.200002.80000
fruit ices: 1.200002.80000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 4.400006.00000
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 Substance Registry Services (TSCA):122-84-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :31231
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(4-methoxyphenyl)propan-2-one
Chemidplus:0000122849
RTECS:UC2990000 for cas# 122-84-9