acetyl methyl anthranilate
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IUPAC Name - methyl 2-acetamidobenzoate
InChI - InChI=1/C10H11NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKey - UYQKZKVNYKOXHG-UHFFFAOYAM
SMILES - CC(=O)NC1=CC=CC=C1C(=O)OC
CAS Number : 2719-08-6
(EINECS) Number :220-318-5
FEMA Number :4170
Molar Refractivity :52.29 ± 0.3 cm3 (est)
Parachor :415.8 ± 4.0 cm3 (est)
Index of Refraction :1.565 ± 0.02 (est)
Surface Tension :45.1 ± 3.0 dyne/cm (est)
Density :1.204 ± 0.06 g/cm3 (est)
Polarizability :20.73 ± 0.5 10-24cm3 (est)
XlogP : 1.60 (est)
XlogP3 : 1.60 (est)
Molecular Weight : 193.1992400 (IUPAC) (PT) (112)
Formula :C10 H11 N O3
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring : 1550
Fl@vouring Number : 09.649
FDA Mainterm : METHYL N-ACETYLANTHRANILATE.
Suppliers :
Bell :Acetyl Methyl Anthranilate
Odor:  very mild fruity powdery strawberry
Grau Aromatics :ACETYL-N-METHYL-ANTHRANILATE
NI, Kosher
Inoue :METHYL N-ACETYL ANTHRANILATE
Nanjing :Benzoic acid, 2-(acetylamino)-, methyl ester
orders in chinese.
Penta :methyl-N-acetyl anthranilate
TCI AMERICA :Methyl N-Acetylanthranilate
>96.0%(GC)
Organoleptics :
Odor Type :fruity
Odor Strength :low
Odor Description:
at 100.00 %.  		very mild fruity powdery strawberry
Luebke, William tgsc, (1997)
Odor sample from :Bell Flavors & Fragrances Inc.
Substantivity :384  Hour(s)
Properties :
Appearence :white powder
Assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
Melting Point : 98.00 to 101.00 °C. @ 760.00 mm Hg
Flash Point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.65
Safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
Safety in Use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.06 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI) :2300 (μg/person/day)
Threshold of Concern :1800 (μg/person/day)
 
Recommendation for acetyl methyl anthranilate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
 
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 on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : 5.0000025.00000
cheese : 7.0000035.00000
chewing gum : --
condiments / relishes : 2.0000025.00000
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : 5.0000025.00000
fish products : 2.0000010.00000
frozen dairy : 7.0000035.00000
fruit ices : 10.0000050.00000
gelatins / puddings : --
granulated sugar : --
gravies : 5.0000025.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : --
meat products : 5.0000025.00000
milk products : 7.0000035.00000
nut products : --
other grains : 5.0000025.00000
poultry : 2.0000010.00000
processed fruits : 7.0000035.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 5.0000025.00000
snack foods : 20.00000100.00000
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
 
 
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) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
Safety References :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
methyl 2-acetamidobenzoate
BioActivity Analysis :99455
dtp/nci :45919
(EINECS) Number :220-318-5
Chemidplus :002719086
EPA Substance Registry Services :2719-08-6
References :
 
methyl 2-acetamidobenzoate
NIST Chemistry WebBook :2719086
Pubchem :160770
Cosmetics :
Cosmetic Uses : perfuming agents
Other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
Export Tariff Code :2922.49.3800
VCF-Online: VCF Volatile Compounds in Food
Synonyms :
2-(acetyl amino) benzoic acid methyl ester
N-acetyl anthranilic acid methyl ester
 acetyl methyl anthranilate
N-acetyl methyl anthranilate
 flora G
 methyl 2-(acetyl amino) benzoate
 methyl 2-acetamidobenzoate
 methyl 2-acetamidobenzoate
 methyl acetyl aminobenzoate
 methyl acetyl anthranilate
 methyl N-acetoanthranilate
 methyl N-acetylanthranilate
 methyl-N-acetyl anthranilate
Soluble in :
 alcohol
 water, 1850 mg/L @ 25C (est)
Insoluble in :
 water
Potential Blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
 allyl anthranilateFL/FR
 apple crotonateFR
 benzyl anthranilateFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
isobutyl isobutyrateFL/FR
isobutyl methyl anthranilateFL/FR
 cassis oxime 10%FR
 cinnamyl anthranilate 
 cinnamyl propionateFL/FR
 cognac oil whiteFL/FR
 curacao peel oilFL/FR
 decyl anthranilateFR
 dihydronootkatoneFL
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
(E,E)-2,4-dodecadien-1-alFL
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl anthranilateFL/FR
 ethyl decanoateFL/FR
 ethyl propionateFL/FR
 fig crotonateFR
 furfuryl butyrateFL
 gardenia amideFR
 gardenia decaloneFR
 gardenia pentyl acetateFR
 grape butyrateFL/FR
 grapefruit acetalFR
 grapefruit indeneFR
 grapefruit menthaneFL/FR
 grapefruit mercaptanFL/FR
 grapefruit nitrileFR
 grapefruit octenoneFR
 grapefruit oil c.p. californiaFL/FR
 grapefruit oil CO2 extract (citrus paradisi macf. var. falvedo)FL/FR
 grapefruit oil terpenelessFL/FR
 grapefruit pentanolFR
 green carboxylateFR
3-hexanoneFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
 hexyl isobutyrateFL/FR
 lime oil distilled terpenelessFL/FR
 magnolia indeneFR
4-mercapto-4-methyl-2-pentanolFL
 methyl anthranilateFL/FR
 methyl formyl anthranilateFL/FR
 myrmac aldehydeFR
beta-naphthyl ethyl etherFL/FR
 neryl acetateFL/FR
 nootkatoneFL/FR
 octanal / methyl anthranilate schiff's baseFR
3-octyl acetateFL/FR
 peony acetonitrileFR
 petitgrain mandarin oilFL/FR
 petitgrain mandarin oil terpenelessFL/FR
 phenethyl anthranilateFL/FR
isopropenyl acetateFL/FR
 propyl heptanoateFL/FR
 rhubarb furanFR
alpha-terpinyl methyl etherFL/FR
 tridecanalFL/FR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
 valenceneFL/FR
Potential Uses :
 curacaoFL
 floralFR
 fruitFR
 grapeFR
 grape concordFR
 grape white grape 
 grapefruitFR
 jasminFR
 lycheeFR
 orange blossomFR
 raisinFR
 stephanotisFR
 strawberryFR
 wet fields 
Natural Occurrence in :    note
data pagechampaca concrete @ 0.10% S
 jasmin absolute S
data pagejasmin absolute concrete egypt @ 0.69% S


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