benzaldehyde / methyl anthranilate schiff's base
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IUPAC name :methyl 2-(benzylideneamino)benzoate
InChI :InChI=1/C15H13NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-11H,1H3
InChIKey :ZCFRWOFFFLZLDU-LFIBNONCBX
SMILES :COC(=O)C1=CC=CC=C1N=CC2=CC=CC=C2
cas number :37837-44-8
(EINECS) number :253-685-5
molar refractivity :71.68 ± 0.5 cm3
parachor :560.9 ± 8.0 cm3
index of refraction :1.550 ± 0.05
surface tension :38.8 ± 7.0 dyne/cm
density :1.06 ± 0.1 g/cm3
polarizability :28.41 ± 0.5 10-24cm3
XlogP : 3.30
XlogP3-AA : 3.10
molecular weight : 239.2692200 (IUPAC) (PT) (112)
formula :C15 H13 N O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :benzoic acid [(benzylene)amino]-,methyl ester
orders in chinese.
Vigon :Methyl Anthranilate / Benzaldehyde Schiff Base
50% in DEP
Odor:  BITTER ALMOND

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
sweet benzaldehyde cherry fruity floral
Luebke, William tgsc, (1988)
substantivity :400  Hour(s)

properties :
appearence :yellow solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10100 to 1.10750 @ 25.00 °C.
pounds per gallon - calc. : 9.161 to 9.216
refractive index :1.56150 to 1.56900 @ 20.00 °C.
boiling point : 405.00 to 406.00 °C. @ 760.00 mm Hg
flash point : 371.00  °F.  TCC  ( 188.33 °C. )
logP (o/w) : 3.68

safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :cosmetic and fragrance agents
 
recommendation for benzaldehyde / methyl anthranilate schiff's base fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for benzaldehyde / methyl anthranilate schiff's base flavor usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
methyl 2-(benzylideneamino)benzoate
(EINECS) number :253-685-5
chemidplus :037837448
EPA Substance Registry Services :37837-44-8

references :
 
methyl 2-(benzylideneamino)benzoate
pubchem :739805

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
FMA :listed
synonyms :
 amandolene liquid 21060
 benzaldehyde / methyl anthranilate schiff's base
 methyl ((phenyl methylene)amino) benzoate
 methyl 2-(benzylidene amino) benzoate
 methyl 2-(benzylideneamino)benzoate
 methyl 2-(phenylmethylideneamino)benzoate
 methyl anthranilate / benzaldehyde schiff's base
 methyl phenyl methylene aminobenzoate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 acetal 318FR
ortho-acetanisoleFL/FR
 acetophenoneFL/FR
1-acetyl cyclohexyl acetateFL
2-acetyl furanFL/FR
 allyl 2-ethyl butyrateFL
 allyl benzoateFR
 allyl isovalerateFL/FR
 almond oil bitterFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
 amyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
ortho-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl formateFL/FR
para-anisyl propionateFL/FR
 benzaldehydeFL/FR
 benzaldehyde dimethyl acetalFL/FR
 benzaldehyde glycrol acetalFL/FR
2-benzofuran carboxaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 berry hexanoateFR
 bread thiopheneFL/FR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
 butyrophenoneFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 cherry laurel oilFL
 cherry oxyacetateFL/FR
 cherry pentenoateFL/FR
 cherry propanolFL/FR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cinnamyl formateFL/FR
 cinnamyl isovalerateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
3,5-cocoa pyrazineFL/FR
3,5(6)-cocoa pyrazineFL
 cyclohexyl cinnamateFL/FR
 cyclohexyl formateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
2-decalinyl acetateFR
 dibenzyl ketoneFL/FR
2,4-difurfuryl furanFL
 dihydrojasmoneFL/FR
2,4-dimethyl benzaldehydeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 eriocephalus punctulatus oil 
 ethyl 2-furoateFL
 ethyl 2-phenyl-3-furoateFL/FR
4-ethyl benzaldehydeFL/FR
 ethyl benzoyl acetateFL
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
4-ethyl octanoic acidFL/FR
5-ethyl-2-thiophene carboxaldehydeFL
 furfuralFL
 geraniolFL/FR
 geranyl crotonateFR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexen-1-alFL
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
2-hexyl-4-acetoxytetrahydrofuranFL
2'-hydroxyacetophenoneFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
2-methoxy-3-methyl pyrazineFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
 methoxymelonalFR
 methyl (E)-cinnamateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl benzoateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl cinnamateFL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
 methyl furfuracrylateFL
alpha-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
 methyl phenyl acetateFL/FR
4-methyl salicylaldehydeFL
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL
(E)-7-methyl-3-octen-2-oneFL
3-nonanon-1-yl acetateFL/FR
 nutty cyclohexenoneFL/FR
 orris root concreteFL/FR
laevo-perillaldehydeFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 phenyl pyruvic acidFL/FR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
 powdery ketoneFL
isopropyl benzoateFL/FR
 raspberry ketone methyl etherFL/FR
 rhubarb pyranFR
 rose undeceneFR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
 tolualdehyde glyceryl acetalFL/FR
 tolualdehydes (mixed o/m/p)FL/FR
meta-tolyl aldehydeFL/FR
para-tolyl aldehydeFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR

potential uses :
 bubble gumFR
 cherryFR
 cherry blossomFR

natural occurrence in :    note
 not found in nature  



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