phenyl acetaldehyde / methyl anthranilate schiff's base
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IUPAC name :methyl 2-(2-cyclohexylethylideneamino)benzoate
InChI :InChI=1/C16H15NO2/c1-19-16(18)14-9-5-6-10-15(14)17-12-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3/b17-12+
InChIKey :UTUBQSIVMXUACR-SFQUDFHCBP
SMILES :COC(=O)C1=CC=CC=C1N=CCC2=CC=CC=C2
cas number :67785-76-6
(EINECS) number :267-070-4
molar refractivity :76.29 ± 0.5 cm3
parachor :599.5 ± 8.0 cm3
index of refraction :1.546 ± 0.05
surface tension :38.4 ± 7.0 dyne/cm
density :1.05 ± 0.1 g/cm3
polarizability :30.24 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 253.2958000
formula :C16 H15 N O2
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
hyacinth green foliage floral mandarin sweet pea
substantivity :244  Hour(s)

properties :
appearence :yellow viscous liquid to solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.10270 to 1.11160 @ 25.00 °C.
pounds per gallon - calc. : 9.176 to 9.250
refractive index :1.55590 to 1.56630 @ 20.00 °C.
boiling point : 414.00 to 415.00 °C. @ 760.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 4.48

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for phenyl acetaldehyde / methyl anthranilate schiff's base usage levels up to :
  2.0000 % in the fragrance concentrate.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 methyl 2-(2-cyclohexylethylideneamino)benzoate
(EINECS) number :267-070-4
chemidplus :067785766
EPA Substance Registry Services :67785-76-6

references :
 methyl 2-(2-cyclohexylethylideneamino)benzoate
pubchem :683032

other :
reference : Luebke, William tgsc, (1987)¹
synonyms :
 methyl (2-phenyl ethylidene) anthranilate
 methyl 2-((2-phenyl ethylidene)amino) benzoate
 methyl 2-(2-cyclohexylethylideneamino)benzoate
 methyl anthranilate / phenyl acetaldehyde schiff's base
 methyl N-(2-phenyl ethylidene) anthranilate
 phenylacetaldehyde / methyl anthranilate schiff's base

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 amber carbinol
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl salicylate
para-anisyl alcohol
 benzoin resinoid
 benzyl acetate
 benzyl propionate
 benzyl salicylate
 bois de rose oil
 cinnamyl alcohol
 citronellol
 clove bud oil
 clover nitrile
 coriander seed oil
 cyclohexyl ethyl alcohol
9-decen-1-ol
 dimethyl benzyl carbinol
 dimethyl hydroquinone
 diphenyl oxide
 ethyl laurate
 ethyl vanillin
 floral pyranol
 gardenia oxide
 geraniol
 green acetate
 heliotropin
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 ionones
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 muguet carboxaldehyde
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 nonanal
 nonanol
 oakmoss absolute
 ocean propanal
 peony alcohol
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
3-phenyl propionaldehyde
 rhodinol
 rose butanoate
10-undecen-1-al

(odor and/or flavor) used in :
 acacia
 aldehydic
 artichoke
 blackberry
 broom genet genista
 carnation dianthus oeillet
 cherry
 cherry blossom
 chocolate cocoa
 cinq fleurs forvil
 crabapple blossom
 elderberry
 evergreen
 flower
 frangipanni plumeria
 fresh
 gardenia
 grapefruit
 green
 hyacinth jacinthe
 jasmin
 jonquil narcissus jonquilla
 lilac lilas syringa
 lily
 magnolia
 narcissus narcisse
 neroli
 orange
 peach
 pear
 powder
 pumpkin
 raspberry
 rose
 sweet pea pois de senteur
 tea
 tea green tea
 tobacco tabac tabaco
 verbena verveine
 wallflower giroflee

natural occurrence in :
not found in nature



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