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
Molar Refractivity :51.25 ± 0.3 cm3 (est)
Parachor :406.5 ± 4.0 cm3 (est)
Index of Refraction :1.563 ± 0.02 (est)
Surface Tension :44.1 ± 3.0 dyne/cm (est)
Density :1.123 ± 0.06 g/cm3 (est)
Polarizability :20.31 ± 0.5 10-24cm3 (est)
XlogP : 2.20 (est)
XlogP3 : 2.50 (est)
Molecular Weight : 177.1998400 (IUPAC) (PT) (112)
Formula :C10 H11 N O2
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Allyl anthranilate.
Fl@vouring Number : 09.719
FDA Mainterm : ALLYL ANTHRANILATE.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Suppliers :
Bedoukian Research :ALLYL ANTHRANILATE
≥98.0%, Kosher
Odor:  A heliotropine creaminess with a grape dry down
The tenacity of this material makes it a good choice for a fruity (grape) end note to a jasmine or tuberose blend.
Flavor:  grape
Can be used in concord grape, cherry, apricot, peach, stone fruits, root beer, mint, spearmint and pineapple flavors for depth and body.
Nanjing :benzoic acic,2-amino-,2-allyl ester
orders in chinese.
Penta :allyl anthranilate
SAFC Global® :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 - est. : 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 :
Category :flavor and fragrance agents
 
IFRA Purity Specification :< 0.1% free allyl alcohol
Recommendation for allyl anthranilate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
Recommendation for allyl anthranilate flavor usage levels up to :
  2.5000 ppm in the flavor.

Safety References :
EPI System :view
IFRA :view standard
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
BioActivity Analysis :429824
dtp/nci :147476
(EINECS) Number :231-331-0
Chemidplus :007493632
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :7493-63-2

References :
 
prop-2-enyl 2-aminobenzoate
NIST Chemistry WebBook :3439953643
Pubchem :166639

Other :
FDA Everything Added to Food in the United States (EAFUS)View
Export Tariff Code :2922.49.3800
FMA :listed
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

Potential Blenders :    note
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 basil absolute sweetFL/FR
isobutyl anthranilateFL/FR
isobutyl methyl anthranilateFL/FR
 cinnamyl anthranilate 
para-cresyl propionaldehydeCS
 curacao peel oilFL/FR
neocyclocitralFR
 dihydronootkatoneFL
 diphenyl oxideFL/FR
 ethyl propionateFL/FR
 farnesyl acetoneFL/FR
 furfuryl butyrateFL
 galbanum oil terpenelessFL/FR
 galbanum oleoresinFL/FR
 geranium absoluteFL/FR
 grape butyrateFL/FR
 heliotrope absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heptyl cinnamateFL/FR
 herbal heptaneFR
(E)-2-hexen-1-alFL
2-hexen-1-alFL
3-hexen-1-alFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-2-hexen-1-olFL/FR
2-hexen-1-olFL/FR
3-hexen-1-olFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl heptanoateFL/FR
(Z)-leaf acetalFL/FR
 leafy acetalFL/FR
 leafy oximeFR
 lime oil distilled terpenelessFL/FR
 methyl anthranilateFL/FR
 methyl formyl anthranilateFL/FR
 methyl heptine carbonateFL/FR
3-methyl-3-pentanolFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(E)-2-octen-1-alFL/FR
(Z)-2-octen-1-al 
(Z)-5-octen-1-yl propionateFL/FR
 petitgrain combava oilFR
 petitgrain mandarin oilFL/FR
3-phenyl propionaldehydeFL/FR
 plectranthus glandulosus hook f. leaf oil cameroon 
isopropyl phenyl propionaldehydeFR
isopulegyl formateFL/FR
 rose leaf absoluteFL/FR
 rosemary oleoresinFL/FR
 styralyl acetateFL/FR

Potential Uses :
 apricotFR
 cherryFR
 floralFR
 flowerFR
 grapeFR
 greenFR
 heliotropeFR
 jasminFR
 leaf 
 pineappleFR
 root beerFR
 spearmintFR
 tuberoseFR
 wineFR

Natural Occurrence in :    note
 not found in nature  



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