isobutyl methyl anthranilate
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IUPAC name :2-methylpropyl 2-(methylamino)benzoate
InChI :InChI=1/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3
InChIKey :WKYZGTHZBSYUFI-UHFFFAOYAH
SMILES :CC(C)COC(=O)C1=CC=CC=C1NC
cas number :65505-24-0
(EINECS) number :265-798-7
fema number :4149
coe number :649
jecfa number :1548
fl. number :09.769
molar refractivity :61.49 ± 0.3 cm3
parachor :487.7 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :37.8 ± 3.0 dyne/cm
density :1.053 ± 0.06 g/cm3
polarizability :24.37 ± 0.5 10-24cm3
XlogP : 3.10
XlogP3-AA : 3.60
molecular weight : 207.2688800 (IUPAC)
formula :C12 H17 N O2
NMR Predictor :Predict
 
 
export tariff code :2922.49.3800
fda reg :unspecified
Suppliers :
Nanjing :benzoic acid 2-(methylamino)-,2-methylpropyl ester
organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  		fruity grapefruit
properties :
appearence :pale yellow solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 70.00 °C. @ 760.00 mm Hg
boiling point : 296.00 to 297.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 272.00  °F.  TCC  ( 133.33 °C. )
logP (o/w) : 4.10
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.06 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.09 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :2300 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for isobutyl methyl anthranilate usage levels up to :
  3.0000 % 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 (EFFA, 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 (EFFA, 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
 
 
 
 2-methylpropyl 2-(methylamino)benzoate
(EINECS) number :265-798-7
chemidplus :065505240
EPA Substance Registry Services :65505-24-0
references :
 2-methylpropyl 2-(methylamino)benzoate
fl. number :09.769
jecfa number :1548
NIST Chemistry WebBook :2906071638
pubchem :198973
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
isobutyl 2-(methyl amino) benzoate
isobutyl 2-(methylamino)benzoate
isobutyl methyl aminobenzoate
isobutyl N-methyl anthranilate
isobutyl N-methylanthranilate
2-methyl propyl 2-(methyl amino) benzoate
2-methyl propyl 2-N-methyl aminobenzoate
2-methylpropyl 2-(methylamino)benzoate
2-methylpropyl 2-methylaminobenzoate
2-methylpropyl N-methyl-2-aminobenzoate
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 benzyl anthranilate
 butyl anthranilate
isobutyl anthranilate
 cassis oxime 10%
 cinnamyl anthranilate
 curacao peel oil
 dihydronootkatone
2,4-dimethyl-3-cyclohexene-1-methanyl acetate
(E,E)-2,4-dodecadien-1-al
 ethyl 3-hydroxyhexanoate
 furfuryl butyrate
 gardenia amide
 gardenia decalone
 gardenia pentyl acetate
 grape butyrate
 grape notes
 grapefruit acetal
 grapefruit indene
 grapefruit menthane
 grapefruit nitrile
 grapefruit octenone
 grapefruit oil
 grapefruit oil CO2 extract
 grapefruit oil terpeneless
 grapefruit pentanol
(Z)-3-hexen-1-yl anthranilate
 lime oil distilled terpeneless
 magnolia indene
1-para-menthene-8-thiol
4-mercapto-4-methyl-2-pentanol
 methyl anthranilate
 methyl formyl anthranilate
 myrmac aldehyde
 neryl acetate
 nootkatone
3-octyl acetate
 peony acetonitrile
 petitgrain mandarin oil
 rhubarb furan
alpha-terpinyl methyl ether
 tridecanal
(±)-2,4,8-trimethyl-7-nonen-2-ol
 valencene
(odor and/or flavor) used in :
 fruit
 grape
 grapefruit
natural occurrence in :
not found in nature



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