(E)-para-methoxycinnamaldehyde
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IUPAC name :(E)-3-(4-methoxyphenyl)prop-2-enal
InChI :InChI=1/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+
InChIKey :AXCXHFKZHDEKTP-NSCUHMNNBV
SMILES :COC1=CC=C(C=C1)\C=C\C=O
cas number :24680-50-0
fema number :3567
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
formula :C10 H10 O2
BioActivity Analysis :47720718
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :para-methoxycinnamaldehyde
Sigma-Aldrich-SAFC :trans-p-Methoxycinnamaldehyde
≥98%
Odor:  cinnamon; creamy; fruity; herbaceous; spicy; floral

organoleptics :
odor type :spicy
odor strength :medium
odor description :
at 100.00 %.  
spicy floral sweet cinnamon cherry vanilla

properties :
appearence :yellow to amber solid
assay : 98.00 to 100.00 %   
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 : 144.00 to 145.00 °C. @ 7.00 mm Hg
flash point : 230.00  °F.  TCC  ( 110.00 °C. )
logP (o/w) : 2.07

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 (E)-para-methoxycinnamaldehyde usage levels up to :
  3.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (E)-3-(4-methoxyphenyl)prop-2-enal
chemidplus :001963366
EPA Substance Registry Services :24680-50-0

references :
 (E)-3-(4-methoxyphenyl)prop-2-enal
NIST Chemistry WebBook :108312794
pubchem :203804

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 methoxy (para) cinnamic aldehyde
trans-para-methoxycinnamaldehyde
3-4-methoxyphenyl-2-propenal
(E)-3-(4-methoxyphenyl)prop-2-enal

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 allyl 2-ethyl butyrate
 allyl benzoate
 allyl isovalerate
 almond oil bitter
isoamyl 2-methyl butyrate
 amyl butyrate
para-anisyl acetate
para-anisyl propionate
 benzaldehyde
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde glycrol acetal
 benzyl cinnamate
 benzylidene acetone
 bread thiophene
 butyrophenone
 canella bark oil
 cassia bark oil
 cassia concrete
 cassia leaf oil china
 cassia oleoresin
 cherry oxyacetate
 cherry pentenoate
 cherry propanol
 cinnamaldehyde
(E)-cinnamaldehyde
(Z)-cinnamaldehyde
 cinnamaldehyde / methyl anthranilate schiff's base
 cinnamaldehyde ethylene glycol acetal
 cinnamon acrolein
 cinnamon bark oil
 cinnamon bark oil (cinnamomum zeylanicum blume) india
 cinnamon leaf oil
 cinnamon oleoresin
 cinnamyl acetate
 cinnamyl isovalerate
 cinnamyl nitrile
(E)-cinnamyl nitrile
 cyclohexyl cinnamate
 cyclohexyl formate
 cyperus root oil
2,4-dimethyl benzaldehyde
 ethyl 2-phenyl-3-furoate
 ethyl benzoyl acetate
 ethyl methyl-para-tolyl glycidate
isoeugenyl phenyl acetate
 furfural acetone
2-furfurylidene butyraldehyde
(E,E)-2,4-heptadien-1-al
 heptyl isobutyrate
2'-hydroxyacetophenone
ortho-methoxycinnamaldehyde
 methyl (E)-cinnamate
alpha-methyl cinnamaldehyde
para-methyl cinnamaldehyde
 methyl cinnamate
 methyl eugenol
 methyl furfuracrylate
 methyl heptadienone
3-methyl-2-buten-1-al
 myrtenal
 nutty cyclohexenone
laevo-perillaldehyde
 phenoxyethanol
2-phenoxyethyl formate
3-phenyl propyl acetate
 pimenta leaf oil
 powdery ketone
 raspberry ketone methyl ether
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde

(odor and/or flavor) used in :
 balsam
 cassia
 cinnamon
 floral
 fruit
 honey miel
 licorice red licorice
 maple
 spice
 tobacco tabac tabaco
 vanilla

natural occurrence in :
basil
estragon oil
potato baked potato



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