ortho-methoxycinnamaldehyde
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IUPAC name :(E)-3-(2-methoxyphenyl)prop-2-enal
InChI :InChI=1/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+
InChIKey :KKVZAVRSVHUSPL-GQCTYLIABC
SMILES :COC1=CC=CC=C1\C=C\C=O
cas number :1504-74-1
(EINECS) number :216-131-3
beilstein number :2436856
fema number :3181
coe number :571
jecfa number :688
fl. number :05.048
molar refractivity :49.00 ± 0.3 cm3
parachor :375.7 ± 4.0 cm3
index of refraction :1.559 ± 0.02
surface tension :37.6 ± 3.0 dyne/cm
density :1.068 ± 0.06 g/cm3
polarizability :19.42 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 162.1852000 (IUPAC)
formula :C10 H10 O2
BioActivity Analysis :411163
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Advanced Biotech :o-methoxycinnamic aldehyde
96% min. natural
Odor:  Cinnamon Floral
Berje :ortho-Methoxy Cinnamic Aldehyde
50%
Berje :ortho-Methoxy Cinnamic Aldehyde
Natural
Penta :o-methoxy cinnamic aldehyde
fused
Penta :o-methoxy cinnamic aldehyde
mixture in cinnamic aldehyde
SAFC Global® :o-Methoxycinnamaldehyde
≥96%, Kosher, FG
Odor:  spicy; floral; sweet
Vigon :Methoxy Cinnamic Aldehyde Ortho / Cinnamic Aldehyde 50% Blend
Odor:  SPICY, FLORAL
Vigon :Methoxy Cinnamic Aldehyde Ortho Crystals
Natural
Odor:  SPICY, FLORAL
organoleptics :
odor type :spicy
odor strength :medium
odor description:
at 100.00 %.  		sweet cinnamon cassia oily woody paper
Luebke, William tgsc, (1985)
odor sample from :Chem-Fleur, Inc.
odor description:
at 5.00 %.  		Sweet, cinnamic, spicy, slightly woody and resinous nuances
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
taste description:
at 5.00 - 25.00 ppm.  		Sweet, spicy, woody, cinnamon bark with medical and phenolic nuances
Mosciano, Gerard P&F 26, No. 3, 80, (2001)
substantivity :48  Hour(s)
properties :
appearence :pale yellow crystals
assay : 94.00 to 100.00 %   
additional assay information :min. 95% combined aldehyde and corresponding acid
Food Chemicals Codex Listed :No
melting point : 44.00 to 48.00 °C. @ 760.00 mm Hg
boiling point : 160.00 to 161.00 °C. @ 12.00 mm Hg
boiling point : 295.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point : 273.00  °F.  TCC  ( 133.89 °C. )
logP (o/w) : 2.13
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.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

Oral-Mouse    >2000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.49 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :71.00 (μg/capita/day)
Structure Class :I
 
recommendation for ortho-methoxycinnamaldehyde fragrance usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for ortho-methoxycinnamaldehyde flavor usage levels up to :
  25.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
(E)-3-(2-methoxyphenyl)prop-2-enal
(EINECS) number :216-131-3
RTECS :GD6590000 for cas# 1504-74-1
chemidplus :001504741
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :1504-74-1
references :
 
(E)-3-(2-methoxyphenyl)prop-2-enal
fl. number :05.048
jecfa number :688
NIST Chemistry WebBook :94271438
pubchem :158494
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2'-methoxycinnamaldehyde
ortho-methoxycinnamic aldehyde
beta-ortho-methoxyphenyl acrolein
3-ortho-methoxyphenyl-2-propenal
beta-(ortho-methoxyphenyl) acrolein
3-(2-methoxyphenyl)-2-propenal
(E)-3-(2-methoxyphenyl)prop-2-enal
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :    note
 acetophenoneFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
 bay leaf oilFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl cinnamateFL/FR
 benzylidene acetoneFL
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
 canella bark oilFR
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cassia concreteFR
 cassia leaf oil chinaFL/FR
 cassia oleoresinFL
 cinnamaldehydeFL/FR
(E)-cinnamaldehydeFL/FR
(Z)-cinnamaldehydeFL/FR
 cinnamaldehyde / methyl anthranilate schiff's baseFR
 cinnamaldehyde ethylene glycol acetalFL/FR
 cinnamon acroleinFL/FR
 cinnamon bark oilFL/FR
 cinnamon bark oil (cinnamomum zeylanicum blume) indiaFL/FR
 cinnamon leaf oilFL/FR
 cinnamon oleoresinFL
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
(E)-cinnamyl alcoholFL/FR
 cinnamyl butyrateFL/FR
(E)-cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl nitrileFR
(E)-cinnamyl nitrileFR
 citronellolFL/FR
 clove bud oilFL/FR
 copaiba balsam oilFL/FR
 coriander seed oilFL/FR
 costus root oilFL
 costus valerolactoneFR
 cubeb oilFL/FR
 cyclamen aldehydeFL/FR
 cyperus root oilFR
 decanolFL/FR
 deertongue absoluteFR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 fir balsam absoluteFR
 floral pyranolFR
 furfural acetoneFL
2-furfurylidene butyraldehydeFL
 galbanum oilFL/FR
 geraniolFL/FR
 geranium oilFL/FR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
(Z)-3-hexen-1-yl cinnamateFR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 ionones 
 labdanum resinoidFR
 leerallFR
 lilyallFR
laevo-linaloolFL/FR
 linalyl cinnamateFL/FR
 lovage root oilFL/FR
 melilot absoluteFR
(E)-para-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl eugenolFL/FR
 methyl furfuracrylateFL
 methyl heptadienoneFL/FR
 methyl ionones 
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 musks 
 myrrh oilFL/FR
 myrtenalFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanolFL/FR
 ocean propanalFL/FR
 octyl cinnamateFR
 patchouli ethanoneFR
 peru balsam oilFL/FR
 peru balsam resinoidFL/FR
 phenethyl alcoholFL/FR
 phenoxyethanolFL/FR
2-phenoxyethyl formateFR
3-phenyl propyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 pimenta leaf oilFL/FR
 poplar bud oleoresinFL/FR
 raspberry ketoneFL/FR
 rose absoluteFL/FR
 rose butanoateFL/FR
 santallFR
 tetrahydrofurfuryl cinnamateFL/FR
 tolu balsamFL/FR
 tonka bean absoluteFR
10-undecen-1-alFL/FR
 vanillinFL/FR
 verymossFR
 vetiver oilFL/FR
 watermelon ketoneFR
 woody acetateFR
 ylang ylang oilFL/FR
potential uses :
 balsam
 cassia
 cherry
 chocolate cacao
 cinnamon
 clove
 estragon
 gingerbread
 honey miel
 peru balsam
 raspberry
 spice
 tonka
 vanilla
 woody
natural occurrence in :    note
 cassia  
data pagecassia bark oil china @ 0.79% S
data pagecassia leaf oil china @ 0.79% S
 cinnamon  
data pagecinnamon bark oil (cinnamomum zeylanicum blume) sri lauka @ 0.30-0.80% S
data pagecinnamon bark oil ceylon @ 0.79% S

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