cyclohexyl anthranilate
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IUPAC name :cyclohexyl 2-aminobenzoate
InChI :InChI=1/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2
InChIKey :KFEZETDKFSMLMG-UHFFFAOYAH
SMILES :C1CCC(CC1)OC(=O)C2=CC=CC=C2N
cas number :7779-16-0
(EINECS) number :231-920-2
fema number :2350
coe number :257
jecfa number :1541
fl. number :09.722
molar refractivity :62.57 ± 0.4 cm3
parachor :506.0 ± 6.0 cm3
index of refraction :1.559 ± 0.03
surface tension :46.7 ± 5.0 dyne/cm
density :1.13 ± 0.1 g/cm3
polarizability :24.80 ± 0.5 10-24cm3
XlogP : 3.40
XlogP3 : 3.70
molecular weight : 219.2795800 (IUPAC)
formula :C13 H17 N O2
NMR Predictor :Predict
 
 
export tariff code :2922.49.3800
fda reg :172.515

Suppliers :
Penta :cyclohexyl anthranilate

organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  
mild neroli orange blossom

properties :
appearence :pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.09800 to 1.10800 @ 25.00 °C.
pounds per gallon - calc. : 9.136 to 9.220
refractive index :1.55900 to 1.56900 @ 20.00 °C.
boiling point : 318.00 °C. @ 760.00 mm Hg
boiling point : 150.00 °C. @ 0.30 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.00100 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 220.00  °F.  TCC  ( 104.44 °C. )
logP (o/w) : 4.10

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.007 (μg/capita/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for cyclohexyl anthranilate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for cyclohexyl anthranilate flavor usage levels up to :
  10.0000 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
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
 
 
 
 
cyclohexyl 2-aminobenzoate
(EINECS) number :231-920-2
chemidplus :007779160
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :7779-16-0

references :
 
cyclohexyl 2-aminobenzoate
fl. number :09.722
jecfa number :1541
NIST Chemistry WebBook :1376532174
pubchem :167020

other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-aminobenzoic acid cyclohexyl ester
 anthranilic acid cyclohexyl ester
 cyclohexyl 2-aminobenzoate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
 acetyl tetralin 
 bigarade oxideFR
isobutyl anthranilateFL/FR
isobutyl methyl anthranilateFL/FR
 cassis bud oilFL/FR
 champaca absoluteFR
 cinnamyl anthranilateFR
 citral / methyl anthranilate schiff's baseFL/FR
 citronellyl anthranilateFL/FR
 clean nitrileFR
 curacao peel oilFL/FR
 cyclamen aldehyde / methyl anthranilate schiff's baseFL/FR
 decanal / methyl anthranilate schiff's baseFL/FR
 decanal dimethyl acetalFL/FR
(Z)-4-decen-1-alFL/FR
 decyl anthranilateFL/FR
 decyl formateFL/FR
 dihydronootkatoneFL/FR
1,3-dimethoxybenzeneFL
 dimethyl anthranilateFL/FR
 ethyl anthranilateFL/FR
 ethyl ethyl anthranilateFL/FR
 ethyl propionateFL/FR
 farneseneFL/FR
 furfuryl butyrateFL
 geranyl anthranilateFL/FR
 geranyl formateFL/FR
 grape butyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
alpha-ironeFL/FR
 labdanum ethanoneFR
 leerall / methyl anthranilate schiff's baseFR
 lilyall / methyl anthranilate schiff's baseFR
 lime oil distilled terpenelessFL/FR
 linalyl anthranilateFL/FR
 linalyl cinnamateFL/FR
 linalyl phenyl acetateFL/FR
 methyl alpha-iononeFL/FR
 methyl anthranilateFL/FR
 methyl formyl anthranilateFL
alpha-isomethyl ionone (90% min.)FL/FR
alpha-methyl naphthyl ketoneFL/FR
beta-naphthyl anthranilateFL
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
beta-naphthyl methyl ketoneFL/FR
2-naphthyl phenyl ketoneFR
 nerolFL/FR
 nerol oxideFL/FR
 neroli oilFL/FR
 neroli oil CO2 extractFL/FR
 nerolidyl acetateFL/FR
 nerolin fragarolFL/FR
 nonanal / methyl anthranilate schiff's baseFR
 ocean propanal / methyl anthranilate schiff's baseFR
 orangeflower absoluteFL/FR
 petitgrain bigarade oilFL/FR
 petitgrain mandarin oilFL/FR
 petitgrain oilFL/FR
(E)-2-phenyl-1(2)-propene-1-yl acetateFR
 propyl anthranilateFL/FR
isopropyl anthranilateFL/FR
 surfleurs d'oranger oilFL/FR
alpha-terpinyl anthranilateFL/FR
alpha-terpinyl methyl etherFL/FR
 tonka ketoneFR
 vetiveryl acetateFL/FR
 ylang ylang oilFL/FR

potential uses :
 floral
 grape
 neroli
 orange blossom fleur d'oranger
 powder
 woody

natural occurrence in :
 not found in nature  



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