citral / methyl anthranilate schiff's base
methyl 2-((3,7-dimethyl-2,6-octadienylidene)amino)benzoate
 
Notes:
None found
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      Product(s):
      67801-47-2 Methyl 2-[(3,7-dimethyl-2,6-octadienylidene)amino]benzoate
       
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CAS Number: 67801-47-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 267-168-7
FDA UNII: 55494K367R
Nikkaji Web: J60.474G
XlogP3-AA: 4.70 (est)
Molecular Weight: 285.38671000
Formula: C18 H23 N O2
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: dark brown viscous liquid to solid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.00330 to 1.01010 @  25.00 °C.
Pounds per Gallon - (est).: 8.348 to  8.405
Refractive Index: 1.52590 to 1.53370 @  20.00 °C.
Boiling Point: 413.00 to  414.00 °C. @ 760.00 mm Hg
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 6.485 (est)
Soluble in:
 alcohol
 water, 0.3433 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: citrus
 
Odor Strength: medium ,
recommend smelling in a 50.00 % solution or less
 
Substantivity: 260 hour(s) at 100.00 %
 
 fresh  sweet  lemon  orangeflower  fruity  
Odor Description:
at 50.00 % in dipropylene glycol. 
fresh sweet lemon orangeflower fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Augustus Oils
Citral – Ma Schiff Base
Services
BOC Sciences
For experimental / research use only.
Methyl 2-[(3,7-dimethyl-2,6-octadienylidene)amino]benzoate
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect: Sensitization
IFRA fragrance material specification:
 The IFRA Scientific Committee examined the physicochemical properties of Schiff bases and concluded that, based on the available information, these materials should be considered under contributions from other sources. By default, the stoichiometric presence of the aldehydes of the Schiff bases is taken into account assuming 100% dissociation. An indicative list of Schiff bases incorporating aldehydes covered by an IFRA Standard of restriction is reported at page 2. These Schiff bases must be taken into account for determination of the maximum use level of the respective aldehydes.
contains the following IFRA (Annex) restricted components: (non-analysis max. level reference only)
citral Max. Found: 53.30 % and Reason: Sensitization
IFRA: View Standard
Recommendation for citral / methyl anthranilate schiff's base usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Recommendation for citral / methyl anthranilate schiff's base flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 67801-47-2
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6437138
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzoate
Chemidplus: 0067801472
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References:
 methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 67801-47-2
Pubchem (cid): 6437138
Pubchem (sid): 135063862
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
aldehydic
(Z)-4-dodecenalFL/FR
2-methyl undecanal dimethyl acetalFR
balsamic
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
camphoreous
 fencholFL/FR
citrus
 acetaldehyde citronellyl methyl acetalFR
 agathis australis oil 
 aldehydic nitrileFR
beta-bisabololFL/FR
 cedrat peel oilFL/FR
 citralFL/FR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citral ethylene glycol acetalFR
 citral propylene glycol acetalFL/FR
 citronella oil ceylonFL/FR
 citronellyl nitrileFR
(Z)-4-decenalFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
homogeranyl nitrileFR
2-heptanolFL/FR
 heptyl phenyl acetate 
 kauri-copal leaf oil 
 lemon hexadieneFL/FR
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 litsea cubeba fruit oilFL/FR
 litsea cubeba oil terpenelessFL/FR
 methyl heptenoneFL/FR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
 neroli ketoneFR
 ocimenolFL/FR
 petitgrain combava oilFR
alpha-terpinyl methyl etherFL/FR
 tetrahydrocitralFL/FR
 trimethyl cyclohexeneFR
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
clean
 clean nitrileFR
coumarinic
 tonka ketoneFR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
floral
 acetal 318FR
 acetyl tetralinFR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl geranateFR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl formateFL/FR
 champaca absoluteFR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 decanal / methyl anthranilate schiff's baseFR
 decyl formateFR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl anthranilateFL/FR
 geraniolFL/FR
 honeysuckle absoluteFR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 leerall / methyl anthranilate schiff's baseFR
 lemon oil distilledFL/FR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl anthranilateFL/FR
 menthadienyl formateFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
alpha-naphthyl methyl ketoneFL/FR
beta-naphthyl methyl ketoneFL/FR
 neroli oil bigardeFL/FR
 neroli oil CO2 extractFL/FR
 nerolin fragarolFL/FR
 neryl isovalerateFL/FR
 nonanal / methyl anthranilate schiff's baseFR
3-nonanon-1-yl acetateFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 petitgrain bigarade oilFL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenyl amyl alcoholFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
4-phenyl-3-buten-2-olFL/FR
 propyl anthranilateFL/FR
isopropyl benzoateFL/FR
 rose undeceneFR
alpha-terpinyl anthranilateFL/FR
 terpinyl formateFL/FR
 terpinyl valerateFL/FR
 tetrahydroionyl acetateFR
(E)-2,5,9-trimethyl-4,9-decadien-1-alFR
 wallflower absoluteFR
fruity
 amyl heptanoateFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 berry hexanoateFR
isobutyl anthranilateFL/FR
isobutyl furyl propionateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl anthranilateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
 ethyl isobutyrateFL/FR
 ethyl levulinateFL/FR
 heptanal cyclic ethylene acetalFR
 heptyl isobutyrateFL/FR
3-mercaptohexyl acetateFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl anthranilateFL/FR
 methyl dimethyl anthranilateFL/FR
 methyl isobutyrateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 rhubarb pyranFR
4-(para-tolyl)-2-butanoneFL/FR
 tropical iononeFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 citrus carbaldehyde / methyl anthranilate schiff's baseFR
isodecanalFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 nerol oxideFL/FR
herbal
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 chamomile isobutyrateFR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 methyl cyclogeranate (Firmenich)FR
 rue oilFL/FR
 rue oil cubaFL/FR
naphthyl
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
2-naphthyl phenyl ketone 
powdery
alpha-methyl iononeFL/FR
spicy
para-anisyl formateFL/FR
terpenic
 elemi resinoidFL/FR
gamma-terpineneFL/FR
woody
2-decalinyl acetateFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
 labdanum ethanoneFR
alpha-terpineneFL/FR
 
For Flavor
 
No flavor group found for these
 agathis australis oil 
isoamyl angelateFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 cedrat peel oilFL/FR
 citral propylene glycol acetalFL/FR
beta-cubebeneFL
isodecanalFL/FR
 dihydronootkatoneFL
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
(Z)-4-dodecenalFL/FR
 heptyl phenyl acetate 
 kauri-copal leaf oil 
4-mercapto-4-methyl-2-pentanolFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl dimethyl anthranilateFL/FR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
alpha-naphthyl methyl ketoneFL/FR
2-naphthyl phenyl ketone 
 ocimenolFL/FR
 phenyl amyl alcoholFL/FR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 propyl anthranilateFL/FR
isopropyl benzoateFL/FR
alpha-terpinyl anthranilateFL/FR
 tetrahydrocitralFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 benzyl acetoacetateFL/FR
isobutyl furyl propionateFL/FR
beta-damasconeFL/FR
berry
 heptyl isobutyrateFL/FR
burnt
 ethyl 2-furoateFL
camphoreous
 fencholFL/FR
citrus
beta-bisabololFL/FR
 citralFL/FR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citronella oil ceylonFL/FR
(Z)-4-decenalFL/FR
 lemon hexadieneFL/FR
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil distilledFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 litsea cubeba fruit oilFL/FR
 petitgrain bigarade oilFL/FR
 petitgrain lemon oilFL/FR
 verbena oil franceFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
ethereal
 ethyl isobutyrateFL/FR
 methyl isobutyrateFL/FR
fatty
 methyl decanoateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
floral
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 linalyl anthranilateFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
beta-naphthyl methyl ketoneFL/FR
 neroli oil bigardeFL/FR
 neroli oil CO2 extractFL/FR
 tropical iononeFL/FR
fruity
 amyl heptanoateFL/FR
 benzyl acetateFL/FR
 benzyl formateFL/FR
isobutyl anthranilateFL/FR
 citronellyl butyrateFL/FR
 citronellyl isobutyrateFL/FR
 cyclohexyl anthranilateFL/FR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 ethyl anthranilateFL/FR
 ethyl levulinateFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 methoxymelonalFL/FR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl anthranilateFL/FR
alpha-methyl iononeFL/FR
 nerolin fragarolFL/FR
 neryl isovalerateFL/FR
3-nonanon-1-yl acetateFL/FR
 phenethyl isovalerateFL/FR
2-phenyl-4-pentenalFL
 terpinyl formateFL/FR
 terpinyl valerateFL/FR
4-(para-tolyl)-2-butanoneFL/FR
green
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
(E)-citronellyl tiglateFL/FR
 elemi resinoidFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
 methyl heptenoneFL/FR
 nerol oxideFL/FR
herbal
 rue oilFL/FR
 rue oil cubaFL/FR
honey
 phenethyl isobutyrateFL/FR
lemon
 litsea cubeba oil terpenelessFL/FR
naphthyl
beta-naphthyl methyl etherFL/FR
powdery
beta-naphthyl ethyl etherFL/FR
spicy
para-anisyl formateFL/FR
 benzyl cinnamateFL/FR
 cinnamyl formateFL/FR
terpenic
gamma-terpineneFL/FR
alpha-terpineneFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
waxy
 butyl undecylenateFL/FR
4-phenyl-3-buten-2-olFL/FR
woody
 methyl ionyl acetateFL/FR
alpha-terpinyl methyl etherFL/FR
 
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Potential Uses:
 citrusFR
 lemonFR
 limeFR
 orangeFR
 topnotes 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 benzoic acid, 2-((3,7-dimethyl-2,6-octadienylidene)amino)-, methyl ester
N-(3,7-dimethyl-2,6-octadienylidene) anthranilic acid methyl ester
 methyl 2-((3,7-dimethyl-2,6-octadienylidene)amino) benzoate
 methyl 2-((3,7-dimethyl-2,6-octadienylidene)amino)benzoate
 methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]benzoate
 methyl anthranilate / citral schiff's base
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