ocean propanal / methyl anthranilate schiff's base
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IUPAC name :methyl 2-{[(1E)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate
InChI :InChI=1/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,13H,9,12H2,1-2H3/b20-11+
InChIKey :FMKWHJXRMHLTPO-RGVLZGJSBI
SMILES :O=C(c3ccccc3N=CC(C)Cc1ccc2c(c1)OCO2)OC
cas number :111753-60-7
molar refractivity :90.16 ± 0.5 cm3
parachor :691.4 ± 8.0 cm3
index of refraction :1.575 ± 0.05
surface tension :41.3 ± 7.0 dyne/cm
density :1.19 ± 0.1 g/cm3
polarizability :35.74 ± 0.5 10-24cm3
molecular weight : 325.3584600 (IUPAC)
formula :C19 H19 N O4
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :helioforte
Vigon :Methyl Anthranilate / Helional Schiff Base
Odor:  SWEET, FLORAL

organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 50.00 % solution or less
odor description :¹
at 50.00 % in dipropylene glycol.  
fresh green floral orangeblossom ozone leafy cortex
substantivity :400  Hour(s)

properties :
appearence :yellow solid paste
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.16100 to 1.16800 @ 25.00 °C.
pounds per gallon - calc. : 9.661 to 9.719
refractive index :1.55500 to 1.56400 @ 20.00 °C.
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for ocean propanal / methyl anthranilate schiff's base usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for ocean propanal / methyl anthranilate schiff's base usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 methyl 2-{[(1E)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate
chemidplus :111753607
EPA Substance Registry Services :111753-60-7

references :
 methyl 2-{[(1E)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate
pubchem :3809439

other :
reference : Luebke, William tgsc, (1997)¹
synonyms :
 aquantraal
 helioforte
 methyl 2-((3-(1,3-benzodioxol-5-yl-2-methyl propylidene)amino)-1-benzene carboxylate
 methyl 2-{[(1E)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate
 methyl anthranilate / alpha-methyl-1,3-benzodioxole-5-propionaldehyde schiff's base
 methyl anthranilate / ocean propanal schiff's base
alpha-methyl-1,3-benzodioxole-5-propionaldehyde / methyl anthranilate schiff's base

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 algae absolute
 allyl amyl glycolate
 allyl cyclohexyl propionate
 amber carbinol
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisyl acetate
para-anisyl alcohol
 bay leaf oil
 beeswax absolute
 benzoin resinoid
 benzyl benzoate
 benzyl cinnamate
 benzyl salicylate
 blood orange oil
 bois de rose oil
isobutyl cinnamate
 caraway seed oil
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 citronellol
 citrus carbaldehyde
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus root oil
 costus valerolactone
 cuminaldehyde
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanol
9-decen-1-ol
 decyl acetate
 dihydrojasmone
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl heptanoate
 ethyl laurate
isoeugenyl acetate
 fir needle oil
 floral pyranol
 frankincense oil
 galbanum oil
 gardenia oxide
 geraniol
 geranyl acetate
 grapefruit pentanol
 green acetate
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 ionones
2,4-ivy carbaldehyde
(Z)-jasmone
isojasmone
 leaf acetal
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 marine pyridine
 mcp acetate
 melon heptenal
 melon nonenoate
 methyl cedryl ketone
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
 methyl octine carbonate
2-methyl undecanal
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 musk indanone
 musks
beta-naphthyl ethyl ether
 nerol
 nerolidol
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 nonanal
 nonanol
(Z)-6-nonen-1-al
 oakmoss absolute
(Z)-5-octen-1-ol
 orange oil
 orris pyridine
 patchouli ethanone
 peony alcohol
 pepper oil black
 petitgrain oil
 phenethyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
3-phenyl propionaldehyde
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose oxides
 santall
 styralyl acetate
alpha-terpineol
 tetrahydrolinalool
gamma-undecalactone
 undecanol
10-undecen-1-al
 violet decenol
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 woody amylene

(odor and/or flavor) used in :
 agrumen
 aldehydic
 alpine bouquet
 animal
 apple blossom
 apple green apple
 ash mountain ash
 bark
 blueberry
 blueberry whortleberry red whortleberry
 boronia
 bouquet
 boxwood
 boxwood blossom
 boysenberry
 bramble arctic bramble blackberry
 briar sweet briar eglantine
 burberry
 cabreuva
 cedar forest
 champaca champak
 cherry wild cherry
 chestnut blossom
 cilantro
 clean
 clematis
 cloudberry bakeapple
 clover trefle le'trefle incarnat
 colonia
 cortex
 crabapple blossom
 cranberry
 cucumber
 cyclamen
 daffodil narcissus
 diorella
 dry
 evergreen
 exotic
 fagonia
 fantasy blends
 fern fougere
 fir balsam
 fir needle
 fixer
 floral
 foliage
 forest
 galbanum
 gooseberry
 grapefruit
 green
 hay new mown hay foin coupe
 herbal
 hinoki
 hollyberry
 honeysuckle chevrefeuille
 huckleberry bilberry
 iris blossom
 ivy leaf
 jackfruit
 jasmin
 juniperberry
 kiwi
 kiwi blossom
 leaf green leaf
 leather
 lemon
 lettuce
 lily
 lily water lily
 lime
 linden blossom limeflower tilleul
 loganberry dewberry
 lotus
 lychee soapberry
 magnolia
 mango
 mango blossom
 meadow
 melon watermelon muskmelon cantaloupe
 muguet lily of the valley
 mulberry
 narcissus narcisse
 natural
 new car
 ocean sea
 orange bitter orange
 orange blossom fleur d'oranger
 orchid
 oriental
 outdoors fresh outdoors
 ozone
 pansy
 papaya
 paper
 passion fruit
 peach
 peach blossom
 pear
 pear prickly pear
 petunia
 phlox
 pine
 poppy
 privet blossom
 quince
 rain spring rain
 reseda mignonette
 rhubarb
 rose moss rose
 rose tea rose
 rose white rose
 rose wild rose
 saffron
 starfruit
 stephanotis
 tulip
 verbena verveine
 violet
 watery
 woody
 yew

natural occurrence in :
not found in nature



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