ethyl anthranilate
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IUPAC name :ethyl 2-aminobenzoate
InChI :InChI=1/C9H11NO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2,10H2,1H3
InChIKey :TWLLPUMZVVGILS-UHFFFAOYAR
SMILES :CCOC(=O)C1=CC=CC=C1N
cas number :87-25-2
(EINECS) number :201-735-1
beilstein number :0878874
fema number :2421
coe number :251
jecfa number :1535
fl. number :09.716
molar refractivity :46.89 ± 0.3 cm3
parachor :377.7 ± 4.0 cm3
index of refraction :1.554 ± 0.02
surface tension :44.6 ± 3.0 dyne/cm
density :1.130 ± 0.06 g/cm3
polarizability :18.59 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 165.1891400 (IUPAC)
formula :C9 H11 N O2
BioActivity Analysis :70530
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2922.49.3800
fda reg :172.515
Suppliers :
Bedoukian Research :ETHYL ANTHRANILATE
≥98.0%, FCC, Kosher
Odor:  A fruity, green, grape, slightly anisic aroma
Works well in fragrances as a heliotropine note with a mild cinnamon finish.
Flavor:  fruity
Compatible with cuminyl alcohol. Can be used in coconut, root beer, cola, apricot, grape and peach flavors.
Berje :Ethyl Anthranilate
Penta :ethyl anthranilate
SAFC Global® :Ethyl 2-aminobenzoate
≥96%, FCC, Kosher
Odor:  blossom; grape; sweet
Vigon :Ethyl Anthranilate
Odor:  FLORAL, ORANGE BLOSSOM
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		sweet floral grape orangeblossom wintergreen
Luebke, William tgsc, (1996)
odor sample from :Bell Flavors & Fragrances Inc.
substantivity :28  Hour(s)
properties :
appearence :colorless to yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.11500 to 1.12000 @ 25.00 °C.
pounds per gallon - calc. : 9.278 to 9.320
refractive index :1.56300 to 1.56600 @ 20.00 °C.
melting point : 13.00 to 14.00 °C. @ 760.00 mm Hg
boiling point : 129.00 to 130.00 °C. @ 9.00 mm Hg
boiling point : 145.00 to 147.00 °C. @ 15.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.00200 mm/Hg @ 20.00 °C.
vapor density :5.7 ( Air = 1 )
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 2.57
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    3750.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :12.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :39.00 (μg/capita/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for ethyl anthranilate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for ethyl anthranilate flavor usage levels up to :
  80.0000 ppm in the flavor.
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
NLM Hazardous Substances Data Bank :search
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
 
 
 
 
ethyl 2-aminobenzoate
(EINECS) number :201-735-1
RTECS :DG2448000 for cas# 87-25-2
chemidplus :000087252
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :87-25-2
dtp/nci :4146
references :
 
ethyl 2-aminobenzoate
fl. number :09.716
jecfa number :1535
NIST Chemistry WebBook :3602797942
pubchem :149881
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-aminobenzoic acid ethyl ester
 anthranilic acid ethyl ester
2-carboethoxyaniline
2-(ethoxycarbonyl) aniline
ortho-(ethoxycarbonyl) aniline
 ethyl 2-aminobenzoate
 ethyl ortho-aminobenzoate
soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, 414 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 acetal 318FR
 acetanisoleFL/FR
1-acetyl cyclohexyl acetateFL
 acetyl tetralin 
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
(E)-anetholFL/FR
 anise indeneFR
 anise oilFL/FR
 anise oleoresinFL
 anise seed oilFL/FR
 anise seed oil starFL/FR
 anise seed oil star terpenelessFL/FR
para-anisyl formateFL/FR
para-anisyl methyl ketoneFL/FR
para-anisyl phenyl acetateFL/FR
para-anisyl propanalFR
 anisyl propanal / methyl anthranilate schiff's baseFR
 autumn carboxylateFR
 basil oilFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 berry hexanoateFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
isobutyl methyl anthranilateFL/FR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
2-butyl-3-methyl pyrazineFL
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 cinnamyl anthranilateFR
 cinnamyl formateFL/FR
 citral / methyl anthranilate schiff's baseFR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
 clausena anisata hook. f. leaf oil 
 clean nitrileFR
 curacao peel oilFL/FR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclohexyl anthranilateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
2-decalinyl acetateFR
 decanal / methyl anthranilate schiff's baseFR
(Z)-4-decen-1-alFL/FR
 decyl formateFR
 dehydro-ar-ionene 
2,4-difurfuryl furanFL
 dihydroanetholFL/FR
 dihydrojasmoneFL/FR
 dihydronootkatoneFL
 dimethyl benzyl carbinyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 elder flowers absoluteFR
 eriocephalus punctulatus oil 
 ethyl 2-furoateFL
4-ethyl anisoleFL
 ethyl levulinateFL/FR
4-ethyl octanoic acidFL/FR
 ethyl para-anisateFL/FR
 ethyl propionateFL/FR
 ethyl sorbateFL/FR
 fennel absolute sweetFL/FR
 fennel flower oil bitter lithuania 
 fennel oleoresin sweetFL/FR
 fennel seed oil bitter lithuaniaCS
 floral nitrileFR
 furfuryl butyrateFL
 geraniolFL/FR
 grape butyrateFL/FR
 hawthorn acetateFR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
2-hexyl-4-acetoxytetrahydrofuranFL
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 labdanum ethanoneFR
 leerall / methyl anthranilate schiff's baseFR
 lilyall / methyl anthranilate schiff's baseFR
 lime oil distilled terpenelessFL/FR
 linalyl anthranilateFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
2'-methoxyacetophenoneFL/FR
 methoxymelonalFR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl alpha-iononeFL/FR
 methyl anthranilateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
 methyl formyl anthranilateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
alpha-methyl naphthyl ketoneFL/FR
(E)-7-methyl-3-octen-2-oneFL
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
beta-naphthyl methyl ketoneFL/FR
2-naphthyl phenyl ketone 
 nerol oxideFL/FR
 neroli oilFL/FR
 neroli oil CO2 extractFL/FR
 nerolin fragarolFL/FR
 nonanal / methyl anthranilate schiff's baseFR
3-nonanon-1-yl acetateFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 orangeflower absoluteFL/FR
 orris root concreteFL/FR
 patchouli ethanoneFR
 petitgrain bigarade oilFL/FR
 petitgrain lemon oilFL/FR
 petitgrain mandarin oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
 powdery ketoneFL
 propyl anthranilateFL/FR
isopropyl benzoateFL/FR
 rhubarb pyranFR
 rose undeceneFR
 sassafras acetateFR
 surfleurs d'oranger oilFL/FR
alpha-terpinyl anthranilateFL/FR
alpha-terpinyl methyl etherFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
(E)-tiglic aldehydeFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tonka ketoneFR
 tropical iononeFL/FR
 wallflower absoluteFR
potential uses :
 berry
 cassie acacia farnesiana
 floral
 grape
 jasmin
 mandarin
 narcissus narcisse
 neroli
 orange blossom fleur d'oranger
 oriental
 wintergreen
natural occurrence in :    note
 grape  

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