allyl anthranilate
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IUPAC name :prop-2-enyl 2-aminobenzoate
InChI :InChI=1/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
InChIKey :UCANFCXAKYMFGA-UHFFFAOYAH
SMILES :C=CCOC(=O)C1=CC=CC=C1N
cas number :7493-63-2
(EINECS) number :231-331-0
fema number :2020
coe number :254
jecfa number :20
fl. number :09.719
molar refractivity :51.25 ± 0.3 cm3
parachor :406.5 ± 4.0 cm3
index of refraction :1.563 ± 0.02
surface tension :44.1 ± 3.0 dyne/cm
density :1.123 ± 0.06 g/cm3
polarizability :20.31 ± 0.5 10-24cm3
XlogP : 2.20
XlogP3 : 2.50
molecular weight : 177.1998400 (IUPAC)
formula :C10 H11 N O2
BioActivity Analysis :429824
NMR Predictor :Predict
 
 
export tariff code :2922.49.3800
fda reg :172.515

Suppliers :
Nanjing :benzoic acic,2-amino-,2-allyl ester
Penta :allyl anthranilate
Sigma-Aldrich-SAFC :Allyl anthranilate
≥98%, Kosher

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
green leaf floral grape

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.11000 to 1.12000 @ 25.00 °C.
pounds per gallon - calc. : 9.236 to 9.320
refractive index :1.56600 to 1.57600 @ 20.00 °C.
boiling point : 105.00 °C. @ 2.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 2.87

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl anthranilate usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for allyl anthranilate usage levels up to :
  2.5000 ppm in the flavor.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
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 :3
 
 
 
 prop-2-enyl 2-aminobenzoate
(EINECS) number :231-331-0
chemidplus :007493632
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :7493-63-2
dtp/nci :147476

references :
 prop-2-enyl 2-aminobenzoate
fl. number :09.719
jecfa number :20
NIST Chemistry WebBook :3439953643
pubchem :166639

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 allyl 2-aminobenzoate
 allyl ortho-aminobenzoate
2-aminobenzoic acid 2-propenyl ester
 anthranilic acid allyl ester
 prop-2-enyl 2-aminobenzoate
2-propen-1-yl 2-aminobenzoate
2-propenyl 2-aminobenzoate
2-propenyl anthranilate
 vinyl carbinyl anthranilate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 basil absolute sweet
isobutyl anthranilate
isobutyl methyl anthranilate
 cinnamyl anthranilate
para-cresyl propionaldehyde
 curacao peel oil
neocyclocitral
 dihydronootkatone
 diphenyl oxide
 ethyl propionate
 farnesyl acetone
 furfuryl butyrate
 galbanum oil terpeneless
 galbanum oleoresin
 geranium absolute
 grape butyrate
 heliotrope absolute
 heliotropin
 heliotropyl acetone
 heptyl cinnamate
 herbal heptane
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl anthranilate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
 hexoxyacetaldehyde dimethyl acetal
 hexyl heptanoate
 leaf acetal
 leafy acetal
 leafy oxime
 lime oil distilled terpeneless
 methyl anthranilate
 methyl formyl anthranilate
 methyl heptine carbonate
3-methyl-3-pentanol
(E,Z)-2,6-nonadien-1-yl acetate
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
 petitgrain combava oil
 petitgrain mandarin oil
3-phenyl propionaldehyde
 plectranthus glandulosus hook f. leaf oil cameroon
isopropyl phenyl propionaldehyde
isopulegyl formate
 rose leaf absolute
 rosemary oleoresin
 styralyl acetate

(odor and/or flavor) used in :
 apricot
 cherry
 floral
 flower
 grape
 green
 heliotrope
 jasmin
 leaf
 pineapple
 rootbeer
 spearmint
 tuberose tubereuse
 wine

natural occurrence in :
not found in nature



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