citronellyl anthranilate
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IUPAC name :3,7-dimethyloct-6-enyl 2-aminobenzoate
InChI :InChI=1/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3
InChIKey :LSJVFMHIFWWGDY-UHFFFAOYAC
SMILES :CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1N
cas number :68555-57-7
(EINECS) number :271-433-2
fema number :4086
jecfa number :1539
molar refractivity :83.81 ± 0.3 cm3
parachor :676.7 ± 4.0 cm3
index of refraction :1.528 ± 0.02
surface tension :38.3 ± 3.0 dyne/cm
density :1.012 ± 0.06 g/cm3
polarizability :33.22 ± 0.5 10-24cm3
XlogP : 5.40
XlogP3-AA : 5.90
molecular weight : 275.3859000 (IUPAC)
formula :C17 H25 N O2
NMR Predictor :Predict
 
 
export tariff code :2922.49.3800
fda reg :unspecified
Suppliers :
Penta :citronellyl anthranilate
organoleptics :
odor type :floral
odor strength :medium
odor description¹ :
at 100.00 %.  		sweet rose fruity neroli petitgrain
odor sample from :Bedoukian Research, Inc.
substantivity :48  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.99900 to 1.00900 @ 25.00 °C.
pounds per gallon - calc. : 8.313 to 8.396
refractive index :1.53000 to 1.54000 @ 20.00 °C.
boiling point : 365.00 °C. @ 760.00 mm Hg
boiling point : 160.00 °C. @ 0.10 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 6.14
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for citronellyl anthranilate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : 10.00000100.00000
beverages(alcoholic) : 10.00000100.00000
breakfast cereal : 1.0000025.00000
cheese : --
chewing gum : 5.0000025.00000
condiments / relishes : --
confectionery froastings : 10.0000050.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 1.000005.00000
fruit ices : 20.00000100.00000
gelatins / puddings : 25.0000050.00000
granulated sugar : --
gravies : --
hard candy : 10.00000100.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : 10.00000100.00000
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : 10.00000100.00000
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : 5.0000025.00000
soft candy : 10.00000100.00000
soups : --
sugar substitutes : --
sweet sauces : 1.0000025.00000
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
3,7-dimethyloct-6-enyl 2-aminobenzoate
(EINECS) number :271-433-2
chemidplus :068555577
EPA Substance Registry Services :68555-57-7
references :
 
3,7-dimethyloct-6-enyl 2-aminobenzoate
jecfa number :1539
pubchem :686814
other :
reference : Luebke, William tgsc, (1988)¹
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
3,7-dimethyl oct-6-enyl 2-aminobenzoate
3,7-dimethyl-6-octen-1-ol 2-aminobenzoate
3,7-dimethyloct-6-enyl 2-aminobenzoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
 allyl isononylateFR
 benzyl isobutyrateFL/FR
 bigarade oxideFR
 butyl angelateFL/FR
 cassis buteneoneFL/FR
 citronellal diisotridecyl acetalFR
 citronellyl acetateFL/FR
laevo-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl octanyl acetateFL/FR
 ethyl linalyl acetateFL/FR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
(E)-ethyl tiglateFL/FR
 geraniolFL/FR
 geranium cyclohexaneFL/FR
 geranyl anthranilateFL/FR
 geranyl butyrateFL/FR
 geranyl isobutyrateFL/FR
 geranyl octanoateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 hexyl phenyl acetateFL/FR
 lime oil distilled terpenelessFL/FR
 linalyl anthranilateFL/FR
 linalyl formateFL/FR
 octyl formateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
 phenethyl valerateFL/FR
 rhodinyl butyrateFL/FR
 rose butanoateFL/FR
 santalyl butyrateFR
potential uses :
 floral
 frangipanni plumeria
 freesia
 neroli
 orange blossom fleur d'oranger
 petitgrain
 rose
natural occurrence in :
 not found in nature  



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