cinnamaldehyde
 
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IUPAC name :3-phenylprop-2-enal
InChI :InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
InChIKey :KJPRLNWUNMBNBZ-UHFFFAOYAB
SMILES :C1=CC=C(C=C1)C=CC=O
(EINECS) number :203-213-9
cas number :104-55-2
fema number :2286
coe number :102
jecfa number :656
fl. number :05.014
molar refractivity :42.32 ± 0.3 cm3
parachor :319.1 ± 4.0 cm3
index of refraction :1.577 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :16.78 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 132.1592200
formula :C9 H8 O
 
 
IUPAC name :(E)-3-phenylprop-2-enal
InChI :InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChIKey :KJPRLNWUNMBNBZ-QPJJXVBHBH
SMILES :C1=CC=C(C=C1)\C=C\C=O
cas number :14371-10-9
beilstein number :1071571
molar refractivity :42.32 ± 0.3 cm3
parachor :319.1 ± 4.0 cm3
index of refraction :1.577 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :16.78 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 132.1592200
formula :C9 H8 O
BioActivity Analysis :48413467
 
 
IUPAC name :(Z)-3-phenylprop-2-enal
InChI :InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-
InChIKey :KJPRLNWUNMBNBZ-DAXSKMNVBC
SMILES :C1=CC=C(C=C1)\C=C/C=O
cas number :57194-69-1
molar refractivity :42.32 ± 0.3 cm3
parachor :319.1 ± 4.0 cm3
index of refraction :1.577 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :1.034 ± 0.06 g/cm3
polarizability :16.78 ± 0.5 10-24cm3
xlogp : 2.00
molecular weight : 132.1592200
formula :C9 H8 O
 
 
fda reg :182.60 h. number :2912.29.6000
organoleptics : 
odor type :spicy
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
sweet spice cinnamon red hots warm
taste description³ :at 0.50 ppm.  
Spicy, cinnamon and cinnamon bark
substantivity :212 hour(s) at 100.00 %
properties : 
appearence :yellow to dark yellow clear oily liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.04600 - 1.05000 @ 25.00 °C.
pounds per gallon - calc. : 8.704 to 8.737
specific gravity :1.05000 - 1.05800 @ 15.00 °C.
pounds per gallon - calc. : 8.755 to 8.822
refractive index :1.61900 - 1.62300 @ 20.00 °C.
melting point : -8.00 - -7.00 °C. @ 760.00 mm Hg
boiling point : 248.00 - 251.00 °C. @ 760.00 mm Hg
boiling point : 131.00 - 132.00 °C. @ 20.00 mm Hg
acid value : 10.00  max.  KOH/g
logp : 2.12
shelf life : 24.00 month(s) or longer if stored properly.
Storage :refrigerate in tightly sealed containers.  store under nitrogen.
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    2200.00  mg/kg  FCTXAV  2,327,1964
Dermal Toxicity(LD50) : Skin-Rabbit  0.59  ml/kg    
  
flash point ( Deg. F. ) : 210.00  °F.  TCC  ( 98.89 °C. )
  
IFRA critical Effect :Sensitization
Fragrance usage is RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1 :0.02 % (1)Category 2 :0.02 %
Category 3 :0.09 %Category 4 :0.30 %
Category 5 :0.10 %Category 6 :0.40 % (1)
Category 7 :0.04 %Category 8 :0.60 %
Category 9 :3.00 %Category 10 :2.50 %
Category 11 :See Note 
  
 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case cinnamaldehyde) must not exceed 5% in the candle.

recommendation for cinnamaldehyde usage levels up to :
  4900.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :203-213-9
rtecs :GD6475000 for 104-55-2
chemidplus :000104552
epa-srs :104-55-2
  
chemidplus :014371109
epa-srs :14371-10-9
  
chemidplus :057194691
epa-srs :57194-69-1
  
ifra :ifra - ( Found under : Cinnamic aldehyde )
other : 
  C of A
references : 
pubchem :150798
NIST Chemistry WebBook :1407649695
  
pubchem :169354
NIST Chemistry WebBook :3418959169
  
pubchem :757838
NIST Chemistry WebBook :19583838
  
reference : Mosciano, Gerard P&F 23, No. 1, 33, (1998)³
synonyms :
 benzylidene acetaldehyde
 cassia aldehyde
 cinnamal
 cinnamaldehyde
 cinnamic aldehyde
 cinnamyl aldehyde
 phenyl acrolein
3-phenyl acrolein
beta-phenyl acrolein
3-phenyl acryl aldehyde
3-phenyl acrylaldehyde
3-phenyl propen-1-al
3-phenyl propenal
3-phenyl-2-propen-1-al
3-phenyl-2-propenal
3-phenyl-2-propenaldehyde
 zimtaldehyde
soluble in :
 ethyl alcohol, 1:25 in 30% alcohol
 ethyl alcohol, 1:5 in 60% alcohol
 ethyl alcohol, 2:5 in 70% alcohol
 ethyl alcohol, 5 vol. 60% alcohol
 water, 1420 mg/L @ 25C
insoluble in :
 paraffin oil
 water
(odor and/or flavor) blends with :
 acaroid
 acetophenone
isoamyl benzoate
alpha-amyl cinnamaldehyde
 amyris wood oil
para-anisaldehyde
para-anisyl alcohol
 benzoin resinoid
 benzyl acetate
 benzyl cinnamate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
isobornyl acetate
 caraway seed oil
 cassia bark oil
 cedarwood oils
 cinnamon leaf oil
 citronellol
 clove bud oil
gamma-decalactone
 dimethyl anthranilate
 dodecanal
 ethyl cinnamate
 ethyl maltol
 ethyl vanillin
isoeugenyl acetate
 floral pyranol
 guaiacwood oil
 heliotropin
 heliotropyl acetone
 lavender absolute
 leerall
 lovage root oil
alpha-methyl cinnamaldehyde
 methyl isoeugenol
 musks
gamma-nonalactone
 ocean propanal
gamma-octalactone
 patchouli ethanone
 patchouli oil
 petitgrain oil
 phenethyl alcohol
 phenethyl propionate
3-phenyl propyl alcohol
 raspberry ketone
 santall
 strawberry furanone
 tonka bean absolute
10-undecen-1-al
 vanillin
 verymoss
(odor and/or flavor) used in :
 allspice
 almond
 apple
 apricot
 aramis
 balsam
 banana
 brut
 bubblegum
 butterscotch
 canoe
 carnation dianthus oeillet
 cassia
 catsup
 cherry
 cherry wild cherry
 chocolate cacao
 cinnabar
 cinnamon
 cola
 cranberry
 date
 floral
 florida soap
 foliage
 grenadine
 halston
 herbal
 hyacinth jacinthe
 l'air du temps
 l'origan
 millefleurs
 mint
 myrrh
 norell
 nut sesame
 old spice
 opium
 oriental
 paco rabanne
 patchouli
 pierre cardin
 plum
 potpourri
 raspberry
 rose
 sassafras
 sensen
 spice
 strawberry
 tonka
 tuberose tubereuse
 tutti frutti
 vanilla
 windsor soap
 youth dew
natural occurrence in :
cassia
celery seed
data pagechampaca concrete @ 0.02%
cinnamomum burmanni b. 77-80%
cinnamomum cassia b. 80-95% leaves
cinnamomum laureiri n. stems and roots
cinnamomum zeylanicum b. 70-75%
cinnamon bark
cinnamon leaf
data pagecinnamon oil CO2 extract @ 77.24-81.47%
cinnamon root
clove stem
cranberry
hedychium spicatum h. rhizomes
hyacinth
lemon balm
metaleuca bracteata
myrrha slecta h.
data pagenarcissus absolute @ 0.05%
patchouli
rose
styrax
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.70%
tolu balsam
data pageylang ylang oil CO2 extract @ 0.21%



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