(Z)-cinnamaldehyde
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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
XlogP3 : 1.90
molecular weight : 132.1592200 (IUPAC)
formula :C9 H8 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :2-Propenal, 3-phenyl-, (2Z)-
orders in chinese only.

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  
spicy cinnamaon

properties :
appearence :pale yellow to yellow clear liquid
assay : 94.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 245.00 to 246.00 °C. @ 760.00 mm Hg
flash point : 160.00  °F.  TCC  ( 71.11 °C. )
logP (o/w) : 2.12

safety :
most important hazard(s) :Xn - Harmful.
  R 21/41 - Harmful in contact with skin, risk of serious damage to eyes.
R 38 - Irritating to skin.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
 
IFRA critical Effect :Sensitization
IFRA fragrance material specification :
 The concentration of Cinnamic aldehyde in the finished cosmetic product should not exceed 0.1%.
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 :0.05 % (1)Category 2 :0.05 %
Category 3 :0.05 %Category 4 :0.05 %
Category 5 :0.05 %Category 6 :0.05 % (1)
Category 7 :0.05 %Category 8 :0.05 %
Category 9 :0.05 %Category 10 :0.05 %
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 (Z)-cinnamaldehyde) must not exceed 5% in the candle.


safety references :
EPI System :view
IFRA :IFRA - ( Found under : Cinnamic aldehyde )
 
WGK Germany :3
 
 
 
 
(Z)-3-phenylprop-2-enal
chemidplus :057194691
EPA Substance Registry Services :57194-69-1

references :
 
(Z)-3-phenylprop-2-enal
NIST Chemistry WebBook :19583838
pubchem :757838

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
cis-cinnamaldehyde
(Z)-cinnamic aldehyde
cis-cinnamic aldehyde
(Z)-3-phenylprop-2-enal

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

potential blenders :    note
 acaroid 
 acetophenoneFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyris wood oilFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
isobornyl acetateFL/FR
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cedarwood oils 
 cinnamon leaf oilFL/FR
 citronellolFL/FR
 clove bud oilFL/FR
gamma-decalactoneFL/FR
 dodecanalFL/FR
 ethyl cinnamateFL/FR
 ethyl vanillinFL/FR
 floral pyranolFR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 lavender absoluteFL/FR
 leerallFR
 lovage root oilFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl isoeugenolFL/FR
 musks 
gamma-nonalactoneFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 petitgrain oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl propionateFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 santallFR
 strawberry furanoneFL/FR
 tonka bean absoluteFR
10-undecen-1-alFL/FR
 vanillinFL/FR
 verymossFR

potential uses :
 allspice
 almond
 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 :    note
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.90% S
data pagecinnamon bark oil (cinnamomum zeylanicum blume) sri lauka @ 0.12-0.98% S
data pagecinnamon fruit oil india @ 0.2-0.3% S
 natural product  

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