isobutyl anthranilate
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IUPAC name :2-methylpropyl 2-aminobenzoate
InChI :InChI=1/C11H15NO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7,12H2,1-2H3
InChIKey :ILCLJQFCMRCPNM-UHFFFAOYAE
SMILES :CC(C)COC(=O)C1=CC=CC=C1N
cas number :7779-77-3
(EINECS) number :231-938-0
fema number :2182
coe number :253
jecfa number :1537
fl. number :09.718
molar refractivity :56.11 ± 0.3 cm3
parachor :454.6 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :41.1 ± 3.0 dyne/cm
density :1.076 ± 0.06 g/cm3
polarizability :22.24 ± 0.5 10-24cm3
XlogP : 2.60
XlogP3 : 3.50
molecular weight : 193.2423000 (IUPAC)
formula :C11 H15 N O2
NMR Predictor :Predict
 
 
export tariff code :2922.49.3800
fda reg :172.515
Suppliers :
Inoue :isoBUTYL ANTHRANILATE
Nanjing :isobutyl anthranilate
orders in chinese only.
Penta :isobutyl anthranilate
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		grape sweet fruity floral berry
odor description³ :
Anthranilate grape-like, sweet fruity with a floral berry nuance
taste description³ :
at 50.00 ppm.  		Sweet fruity grape-Iike, with a floral honey background
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05700 to 1.06300 @ 25.00 °C.
pounds per gallon - calc. : 8.795 to 8.845
refractive index :1.53400 to 1.54000 @ 20.00 °C.
boiling point : 118.00 to 122.00 °C. @ 3.00 mm Hg
boiling point : 169.00 to 170.00 °C. @ 13.50 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 212.00  °F.  TCC  ( 100.00 °C. )
logP (o/w) : 3.45
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for isobutyl anthranilate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for isobutyl anthranilate flavor usage levels up to :
  700.0000 ppm in the flavor.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2-methylpropyl 2-aminobenzoate
(EINECS) number :231-938-0
chemidplus :007779773
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :7779-77-3
references :
 
2-methylpropyl 2-aminobenzoate
fl. number :09.718
jecfa number :1537
NIST Chemistry WebBook :7779773
pubchem :167025
other :
reference : Mosciano, Gerard P&F 16, No. 6, 43, (1991)³
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-aminobenzoic acid 2-methyl propyl ester
 anthranilic acid isobutyl ester
isobutyl 2-aminobenzoate
isobutyl ortho-aminobenzoate
2-methyl propyl 2-aminobenzoate
2-methylpropyl 2-aminobenzoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl anthranilateFL/FR
 allyl tiglateFL
delta6-isoambrettolideFL/FR
 amyl anthranilateFL/FR
 apple crotonateFR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 blackberry thiophenoneFL/FR
 bois de rose oilFL/FR
 buchu mercaptanFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 cinnamyl anthranilateFR
 cinnamyl propionateFL/FR
 cognac oil whiteFL/FR
 coranolFR
 cubeb oilFL/FR
 curacao peel oilFL/FR
alpha-damasconeFL/FR
 decyl anthranilateFR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl anthranilateFL/FR
 ethyl decanoateFL/FR
 ethyl levulinateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl propionateFL/FR
 fig crotonateFR
 furfuryl butyrateFL
 grape butyrateFL/FR
 green carboxylateFR
 heliotropyl isobutyrateFL/FR
3-hexanoneFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
 hexyl isobutyrateFL/FR
 ho leaf oilFR
 ho wood oilFR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
 lime oil distilled terpenelessFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
dextro,laevo-menthyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl anthranilateFL/FR
 methyl formyl anthranilateFL/FR
 methyl heptanoateFL/FR
beta-naphthyl ethyl etherFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
 octanal / methyl anthranilate schiff's baseFR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 octyl phenyl acetateFL/FR
 osmanthus absoluteFL/FR
 petitgrain mandarin oilFL/FR
 petitgrain mandarin oil terpenelessFL/FR
 phenethyl anthranilateFL/FR
isopropenyl acetateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
 rose carboxylateFR
 styralyl butyrateFL/FR
 tetrahydroionyl acetateFR
 tetrahydrolinaloolFL/FR
 thiogeraniolFL/FR
 valeraldehydeFL/FR
 vanilla carboxylateFL/FR
potential uses :
 grape
 honey miel
 jasmin
 licorice
 mandarin
 orange blossom fleur d'oranger
 pineapple
 raspberry
 strawberry
natural occurrence in :    note
 not found in nature  

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