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)
formula :C15 H13 N O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :benzoic acid [(benzylene)amino]-,methyl ester
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 :¹
at 10.00 % in dipropylene glycol.  
sweet benzaldehyde cherry fruity floral
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 :
 
recommendation for benzaldehyde / methyl anthranilate schiff's base usage levels up to :
  8.0000 % in the fragrance concentrate.

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 :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
synonyms :
 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

(odor and/or flavor) blends with :
 acetal 318
 acetophenone
1-acetyl cyclohexyl acetate
2-acetyl furan
 allyl 2-ethyl butyrate
 allyl benzoate
 allyl isovalerate
 almond oil bitter
isoamyl 2-methyl butyrate
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
 amyl butyrate
alpha-amyl cinnamaldehyde
ortho-anisaldehyde
para-anisyl acetate
para-anisyl formate
para-anisyl propionate
 benzaldehyde
 benzaldehyde dimethyl acetal
 benzaldehyde glycrol acetal
2-benzofuran carboxaldehyde
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 berry hexanoate
 bread thiophene
isobutyl anthranilate
isobutyl furyl propionate
2-butyl thiophene
 butyl undecylenate
 butyrophenone
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cherry laurel oil
 cherry oxyacetate
 cherry pentenoate
 cherry propanol
 chocolate pyrazine A
 chocolate pyrazine B
 cinnamyl formate
 cinnamyl isovalerate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
 cocoa pyrazine
 cyclohexyl cinnamate
 cyclohexyl formate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
 dibenzyl ketone
2,4-difurfuryl furan
 dihydrojasmone
2,4-dimethyl benzaldehyde
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl 2-phenyl-3-furoate
4-ethyl benzaldehyde
 ethyl benzoyl acetate
 ethyl levulinate
 ethyl methyl-para-tolyl glycidate
4-ethyl octanoic acid
5-ethyl-2-thiophene carboxaldehyde
2-ethyl-3,5(6)-dimethyl pyrazine mixture
 furfural
 geraniol
 geranyl crotonate
2-heptanol
 heptyl isobutyrate
2,4-hexadien-1-ol
3,4-hexane dione
2-hexen-1-al
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
2'-hydroxyacetophenone
 menthadienyl formate
3-mercaptohexyl acetate
2-methoxy-3-methyl pyrazine
2'-methoxyacetophenone
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
 methoxymelonal
 methyl (E)-cinnamate
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzoate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cinnamate
 methyl cyclogeranate
 methyl decanoate
 methyl furfuracrylate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
 methyl phenyl acetate
4-methyl salicylaldehyde
3-methyl-2-buten-1-al
2-methyl-3-(methyl thio) pyrazine
(E)-7-methyl-3-octen-2-one
2-methyl-3,(5 or 6)-ethoxypyrazine
3-nonanon-1-yl acetate
 nutty cyclohexenone
 orris root concrete
laevo-perillaldehyde
 phenethyl isobutyrate
 phenethyl isovalerate
 phenyl acetaldehyde diethyl acetal
 phenyl acetaldehyde diisobutyl acetal
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
 phenyl pyruvic acid
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
 powdery ketone
isopropyl benzoate
 raspberry ketone methyl ether
 rhubarb pyran
 rose undecene
 terpinyl valerate
 tetrahydroionyl acetate
 tolualdehyde glyceryl acetal
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde
4-(para-tolyl)-2-butanone
 tropical ionone

(odor and/or flavor) used in :
 bubblegum
 cherry
 cherry blossom

natural occurrence in :
not found in nature



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