para-methoxycinnamaldehyde
 
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IUPAC name :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
InChIKey :AXCXHFKZHDEKTP-UHFFFAOYAQ
SMILES :COC1=CC=C(C=C1)C=CC=O
(EINECS) number :217-807-0
cas number :1963-36-6
fema number :3567
coe number :11919
jecfa number :687
fl. number :05.118
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 :422988
 
 
export tariff code :2912.49.0000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :p-METHOXY CINNAMIC ALDEHYDE (PMCA)
≥98.0%, Kosher
Cargill - Alfrebro :p-METHOXY-CINNAMALDEHYDE
40% in Ethanol, natural, Kosher

organoleptics :
odor type :spicy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
spicy cinnamon sweet cherry vanilla floral

properties :
appearence :yellow crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 44.00 to 45.00 °C. @ 760.00 mm Hg
boiling point : 160.00 °C. @ 3.00 mm Hg
boiling point : 308.00 to 309.00 °C. @ 760.00 mm Hg
logp : 2.07

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
recommendation for para-methoxycinnamaldehyde usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for para-methoxycinnamaldehyde usage levels up to :
  20.0000 ppm in the flavor.

safety references :
EPI System :view
 
 
 3-(4-methoxyphenyl)prop-2-enal
(EINECS) number :217-807-0
chemidplus :1963-36-6
EPA Substance Registry Services :1963-36-6
NLM Chemical Carcinogenesis Research Information System :1963-36-6
NLM Developmental and Reproductive Toxicity :1963-36-6
NLM Env. Mutagen Info. Center :1963-36-6
NLM GENetic TOXicology :1963-36-6
dtp/nci :134287

references :
 3-(4-methoxyphenyl)prop-2-enal
jecfa number :687
fl. number :05.118
pubchem :87316

other :
synonyms :
4-methoxycinnamaldehyde
para-methoxycinnamaldehyde
para-methoxycinnamic aldehyde
3-(4-methoxyphenyl)-2-propenal

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 :
 cassia
 cherry
 cinnamon
 floral
 honey miel
 licorice red licorice
 maple
 spice
 tobacco tabac tabaco
 vanilla

natural occurrence in :
basil
potato baked potato
tarragon



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