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ortho-methyl acetophenone

Chemical Structure

General Material Information

Preferred name ortho-methyl acetophenone
Trivial Name 2′-Methylacetophenone
Short Description 2-methylacetophenone
Formula C9 H10 O
CAS Number 577-16-2
FEMA Number 4316
Flavis Number 7.259
ECHA Number 209-408-5
FDA UNII 23O5EV975S
Nikkaji Number J45.639J
Beilstein Number 0907005
MDL MFCD00008734
xLogP3-AA 2.00 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 2044 2-methylacetophenone
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 577-16-2 ; 2-METHYLACETOPHENONE
Synonyms
  • acetophenone, 2'-methyl-
  • 2-acetyl toluene
  • o- acetyl toluene
  • ortho- acetyl toluene
  • 1-acetyl-2-methylbenzene
  • 2-acetyltoluene
  • o- acetyltoluene
  • ethanone, 1-(2-methylphenyl)-
  • 2-methyl acetophenone
  • 2'- methyl acetophenone
  • o- methyl acetophenone
  • methyl o-tolyl ketone
  • methyl ortho-tolyl ketone
  • 1-(2-methyl phenyl) ethanone
  • 2-methylacetophenone
  • 2'- methylacetophenone
  • 2’- methylacetophenone
  • o- methylacetophenone
  • ortho- methylacetophenone
  • 1-(2-methylphenyl)-ethanone
  • 1-(2-methylphenyl)ethanone
  • 1-o- tolyl-ethanone
  • 1-(o- tolyl)ethanone
  • 1-(2-methylphenyl)ethanone
  • Acetophenone, 2′-methyl-
  • Acetophenone, o-methyl-
  • o-Methylacetophenone
  • 2′-Methylacetophenone
  • o-Acetyltoluene
  • 2-Acetyltoluene
  • Methyl 2-methylphenyl ketone
  • 2-Methylphenyl methyl ketone
  • 1-(2-Tolyl)ethanone
  • NSC 84233
  • 1-(o-Tolyl)ethanone
  • 1-(2-Methylphenyl)ethan-1-one
  • (o-Tolyl)ethan-1-one
  • 1-(o-Tolyl)ethan-1-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
KEGG (GenomeNet):C07874
HMDB (The Human Metabolome Database):HMDB32386
FooDB:FDB009806
Export Tariff Code:2914.39.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:2-Methylacetophenone

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 134.17790222168
Specific gravity @ 25 °C
Pounds per Gallon 8.512 to 8.562
Refractive Index 1.526 to 1.532 @ 20 °C
Vapor Pressure 0.159 mmHg @ 25 °C
Vapor Density 4.63
Flash Point TCC Value 83.33 °C TCC
logP (o/w) 2.125 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 1123 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, hawthorn, powdery, anisic, coumarinic, phenolic, burnt, nutty, honey
Odor strength medium
Substantivity 27 hour(s) at 100.00 %
Luebke, William tgsc, (2008) At 100.00 %. sweet hawthorn powdery anisic coumarinic phenolic burnt nutty honey
Flavor Type: Anisic
anisic, coumarinic, phenolic, burnt, nutty, nut flesh, almond, powdery
Luebke, William tgsc, (2008) Sweet anisic coumarinic phenolic burnt nutty nut flesh almond powdery

Occurrences

Safety Information

Safety information

Preferred SDS: View
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 ortho-methyl acetophenone usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/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: 23
Click here to view publication 23
average usual ppmaverage maximum ppm
baked goods: 5.0000025.00000
beverages(nonalcoholic): 2.0000010.00000
beverages(alcoholic): --
breakfast cereal: 2.0000010.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 4.0000020.00000
egg products: --
fats / oils: 2.0000010.00000
fish products: 1.000005.00000
frozen dairy: --
fruit ices: 3.0000015.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000005.00000
milk products: 3.000005.00000
nut products: 2.0000010.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: 2.0000010.00000
sugar substitutes: --
sweet sauces: --
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.000005.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 2.0000010.00000
Confectionery (05.0): 4.0000020.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000

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):

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 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
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 :11340
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
1-(2-methylphenyl)ethanone
Chemidplus:0000577162