methyl anthranilate
Notes :
grape enhancer - methyl anthranilate and phenethyl alcohol.
 
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IUPAC name :methyl 2-aminobenzoate
InChI :InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
InChIKey :VAMXMNNIEUEQDV-UHFFFAOYAV
SMILES :COC(=O)C1=CC=CC=C1N
(EINECS) number :205-132-4
cas number :134-20-3
beilstein number :0606965
fema number :2682
coe number :250
jecfa number :1534
fl. number :09.715
molar refractivity :42.26 ± 0.3 cm3
parachor :337.9 ± 4.0 cm3
index of refraction :1.565 ± 0.02
surface tension :46.2 ± 3.0 dyne/cm
density :1.166 ± 0.06 g/cm3
polarizability :16.75 ± 0.5 10-24cm3
xlogp : 1.60
molecular weight : 151.1625600
formula :C8 H9 N O2
BioActivity Analysis :69638
 
 
fda reg :182.60 h. number :2922.49.1000
organoleptics : 
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
fruity grape orangeflower neroli
taste description³ :at 25.00 ppm.  
Sweet, fruity, concord grape, with a musty and berry nuance
substantivity :88  Hour(s)
properties : 
appearence :pale yellow to dark yellow clear liquid to solid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.16100 - 1.16900 @ 25.00 °C.
pounds per gallon - calc. : 9.661 to 9.727
refractive index :1.57900 - 1.59200 @ 20.00 °C.
melting point : 23.00 - 24.00 °C. @ 760.00 mm Hg
boiling point : 238.00 - 241.00 °C. @ 760.00 mm Hg
boiling point : 163.00 - 164.00 °C. @ 50.00 mm Hg
logp : 1.88
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Oral-Rat    2910.00  mg/kg  FCTXAV  2,327,1964
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  12,935,1974
  
flash point ( Deg. F. ) : 220.00  °F.  TCC  ( 104.44 °C. )
  
recommendation for methyl anthranilate usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for methyl anthranilate usage levels up to :
  2200.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :205-132-4
rtecs :CB3325000 for 134-20-3
chemidplus :000134203
epa-srs :134-20-3
dtp/nci :3109
  
other : 
  C of A
references : 
pubchem :151791
NIST Chemistry WebBook :3796554741
  
reference : Mosciano, Gerard P&F 18, No. 2, 38, (1993)³
synonyms :
2-aminobenzoic acid methyl ester
ortho-aminobenzoic acid methyl ester
ortho-aminomethyl benzoate
 anthranilic acid methyl ester
2-carbomethoxyaniline
ortho-carbomethoxyaniline
2-(methoxycarbonyl) aniline
 methyl 2-aminobenzoate
 methyl aminobenzoate
 methyl anthranilate
 methyl ortho-aminobenzoate
 nevoli oil
soluble in :
 alcohol
 dipropylene glycol
 fixed oils
 propylene glycol
 water, 2850 mg/L @ 25C
insoluble in :
 paraffin oil
 glycerin
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 liquid detergent
 shampoo
 soap
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
 amyris wood oil
para-anisaldehyde
para-anisyl acetate
para-anisyl alcohol
 atractylis absolute
 beeswax absolute
 benzyl cinnamate
 benzyl isoeugenol
 benzyl salicylate
 bergamot oil
 blood orange oil
 cangerana root bark oil
 cassia bark oil
 cinnamyl alcohol
 citronellol
 clary sage oil
 clover nitrile
 cyclohexyl ethyl alcohol
gamma-decalactone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl phenyl acetate
 ethyl vanillin
 fir balsam absolute
 geraniol
 green acetate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 leerall
 lilyall
laevo-linalool
 mandarin oil
 melon heptenal
 methyl acetophenone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 muguet carboxaldehyde
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
 nerol
 nerolidol
(E,Z)-2,6-nonadien-1-al
 nonanal dimethyl acetal
(Z)-6-nonen-1-al
 ocean propanal
 orange oil
 orangeflower absolute
 petitgrain oil
 phenethyl phenyl acetate
 phenyl acetaldehyde
3-phenyl propionaldehyde
 santall
 strawberry glycidate 1
alpha-terpineol
para-tolyl aldehyde
gamma-undecalactone
 vanillin
 woody amylene
(odor and/or flavor) used in :
 acacia
 almond
 banana
 bergamot
 bluebell
 blueberry
 bouquet
 broom genet genista
 bubblegum
 champaca champak
 cherry
 chloe
 citrus
 clove
 cologne
 currant
 elder blossom
 floral
 forest pine forest
 gardenia
 grape concord grape
 greenhouse
 habuba
 jasmin
 leather
 lemon
 lily
 melon watermelon muskmelon cantaloupe
 mulberry
 neroli
 orange
 orange blossom fleur d'oranger
 oriental
 passion fruit
 petitgrain mandarin petitgrain
 pineapple
 plum
 poison
 quelques fleurs
 quince
 sweet pea pois de senteur
 tangerine
 tuberose tubereuse
 violet
 wallflower giroflee
 woodruff asperula
 ylang ylang cananga
natural occurrence in :
bergamot
champaca
data pagechampaca absolute @ 4.50%
data pagechampaca concrete @ 9.00%
gardenia
data pagegenet absolute @ 0.40%
grape concord grape
jasmin
data pagejasmin absolute concrete india @ 0.39-0.82%
data pagejasmin absolute concrete italy @ 2.86%
data pagejasmin sambac absolute egypt @ 4.90%
lemon
mandarin
data pagenarcissus absolute @ 0.19%
data pagenarcissus absolute @ 0.43%
neroli
data pageneroli bigarde oil france @ trace%
data pageneroli oil CO2 extract @ 0.98%
orange
data pageorange peel oil sweet c.p. egypt @ 0.24%
data pageorangeflower absolute morocco @ 1.0-4.3%
data pageorangeflower water absolute @ 2.0-11.4%
rue oil
strawberry
tuberose
wine white & red wine
ylang ylang
data pageylang ylang oil @ 0.08%
data pageylang ylang oil CO2 extract @ 0.02%



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