leerall / methyl anthranilate schiff's base
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IUPAC name :methyl 2-[[4-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enyl]methylideneamino]benzoate
InChI :InChI=1/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,17,24H,6-7,11-14H2,1-3H3
InChIKey :HNLBOCGUTPSUHX-PXLXIMEGBS
SMILES :CC(C)(CCCC1=CCC(CC1)C=NC2=CC=CC=C2C(=O)OC)O
cas number :67634-12-2
(EINECS) number :266-816-6
molar refractivity :100.35 ± 0.5 cm3
parachor :798.1 ± 8.0 cm3
index of refraction :1.535 ± 0.05
surface tension :37.7 ± 7.0 dyne/cm
density :1.06 ± 0.1 g/cm3
polarizability :39.78 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 343.4598600 (IUPAC)
formula :C21 H29 N O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
IFF :Lyrame Super
Odor:  Tenacious floral absolute odor with a very sweet, orange blossom profile.
IFF :Lyrame
Odor:  Floral, muguet with a very sweet orange blossom note.
Penta :methyl anthranilate/ lyral schiff base
Vigon :Methyl Anthranilate / Lyral Schiff Base
Vigon :Methyl Anthranilate / Lyral Schiff Base
50% in DEP
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 lily floral sweet orangeblossom
odor sample from :International Flavors & Fragrances Inc.
substantivity :400  Hour(s)
properties :
appearence :bright yellow viscous liquid
Food Chemicals Codex Listed :No
specific gravity :1.06270 to 1.07070 @ 25.00 °C.
pounds per gallon - calc. : 8.843 to 8.909
refractive index :1.52590 to 1.53540 @ 20.00 °C.
boiling point : 497.00 to 498.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.40
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
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 leerall / methyl anthranilate schiff's base usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for leerall / methyl anthranilate schiff's base usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 methyl 2-[[4-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enyl]methylideneamino]benzoate
(EINECS) number :266-816-6
chemidplus :067634122
EPA Substance Registry Services :67634-12-2
references :
 methyl 2-[[4-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enyl]methylideneamino]benzoate
pubchem :683966
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1990)¹
CosIng :cosmetic data
synonyms :
 lyrame
 lyrame super
 lyrantion
 methyl 2-(((4-(4-hydroxy-4-methyl pentyl)-3-cyclohexenyl)methylene)amino) benzoate
 methyl 2-(((E)-1-(4-(4-hydroxy-4-methyl pentyl)-3-cyclohexenyl)methylidene)amino)-1-benzen
 methyl 2-[[4-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enyl]methylideneamino]benzoate
 methyl anthranilate / leerall schiff's base
 methyl hydroxymethyl pentyl cyclohexenyl methylene aminobenzoate
 methyl N-((4-(4-hydroxy-4-methyl pentyl)-3-cyclohexen-1-yl)methylidene) anthranilate
soluble in :
 alcohol
 oils
insoluble in :
 water
stability :
 alcoholic lotion
 deo stick
 fabric softener
 shampoo
(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde dimethyl acetal
 benzyl anthranilate
alpha-butyl cinnamaldehyde
 champaca absolute
 citral / methyl anthranilate schiff's base
 citronellyl ethoxalate
 citronellyl oxyacetaldehyde
 citrus ocimenol
 clean nitrile
para-cresyl phenyl acetate
para-cresyl propionaldehyde
 cumin carbinol
 cyclamen aldehyde / methyl anthranilate schiff's base
 cyclamen homoaldehyde
 cyclohexyl anthranilate
 cyclohexyl ethyl alcohol
 cyclohexyl propanol
2-decalinol
 decanal / methyl anthranilate schiff's base
(Z)-4-decen-1-al
 decyl formate
 dimethyl benzyl carbinyl formate
 ethyl anthranilate
 ethyl linalyl acetal
(E,E)-farnesol
 floral butanal
 floral pyranol
 freesia acetate
 gardenia decalone
 hawthorn ethanol
 hydroxycitronellal
 hydroxycitronellal / methyl anthranilate schiff's base
 hydroxycitronellal diethyl acetal
 hydroxycitronellal dimethyl acetal
 hydroxycitronellol
 jasimia
 labdanum ethanone
 lily pentanal
 lily propanol
 lilyall
 lilyall / methyl anthranilate schiff's base
 linalyl anthranilate
 linalyl benzoate
 linalyl cinnamate
 linalyl propionate
 magnolia cyclohexanol
 magnolia decadienal
 methoxycitronellal
 methyl anthranilate
alpha-methyl naphthyl ketone
2-methyl octanal
 muguet butanal
 muguet butanol
 muguet carbaldehyde
 muguet carbinol
 muguet carboxaldehyde
 muguet ethanol
 muguet nitrile
 muguet octadienol
 muguet propanol
 muguet shiseol
 muguet undecadienal
 myrmac aldehyde
beta-naphthyl ethyl ether
beta-naphthyl methyl ether
beta-naphthyl methyl ketone
2-naphthyl phenyl ketone
 nerol oxide
 neroli oil
 nerolin fragarol
 nonanal
 nonanal / methyl anthranilate schiff's base
 ocean propanal / methyl anthranilate schiff's base
 orangeflower absolute
 ozone propanal
 petitgrain bigarade oil
 phenyl glycol diacetate
 propyl anthranilate
 surfleurs d'oranger oil
alpha-terpinyl anthranilate
alpha-terpinyl methyl ether
 tetrahydrolinalool
 tetrahydromyrcenol
 tonka ketone
 ylang ylang oil
(odor and/or flavor) used in :
 citrus
 floral
 greenhouse
 lily
 magnolia
 muguet lily of the valley
 neroli
 orange blossom fleur d'oranger
 tuberose tubereuse
natural occurrence in :
not found in nature



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