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
cas number :104-55-2
(EINECS) number :203-213-9
beilstein number :1071571
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
XlogP3 : 1.90
molecular weight : 132.1592200 (IUPAC)
formula :C9 H8 O
pherobase floral:view
NMR Predictor :Predict
 

 
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
XlogP3 : 1.90
molecular weight : 132.1592200 (IUPAC)
formula :C9 H8 O
BioActivity Analysis :48413467
pherobase floral:view
NMR Predictor :Predict
 

 
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 :2912.29.6000
fda reg :182.60

Suppliers :
Aceto :Cinnamic Aldehyde
FCC & Kosher
Advanced Biotech :cinnamic aldehyde
98% min. natural
Advanced Biotech :CINNAMIC ALDEHYDE
NATURAL
Apple :Cinnamaldehyde
Berje :Cinnamic Aldehyde 92%
Natural
Berje :Cinnamic Aldehyde
Cargill :CINNAMIC ALDEHYDE (EU NAT)
natural, Kosher
Odor:  Cinnamon, Spice, Burning, Fragrant
Citrus and Allied Essences :Cinnamic Aldehyde
98% (natural)
Citrus and Allied Essences :Cinnamic Aldehyde
FCC
Elan :cinnamaldehyde
(natural), Kosher
Fleurchem :cinnamic aldehyde
natural
Fleurchem :cinnamic aldehyde
Godavari :Cinnamic aldehyde
Hofmen :Cinnamaldehyde
99%, (naturals)
Inoue :CINNAMALDEHYDE
John D. Walsh :Cinnamic Aldehyde
Mane :cinnamaldehyde
(ex Cinnamon)
Moellhausen :cinnamaldehyde
99% min. nature identical kosher
Moellhausen :cinnamaldehyde
98% min. natural kosher
Mooreganics :Cinnamic Aldehyde
Natural (Organic Compliant)
Odor:  PUNGENT, SPICY, CINNAMON-LIKE
Payand Betrand :Cinnamic aldehyde
China, Natural Isolated Constituent
Penta :cinnamaldehyde
Penta :cinnamaldehyde
natural
Polarome :CINNAMIC ALDEHYDE
FCC
SAFC Global® :Cinnamaldehyde
≥98%, FCC, Kosher
Odor:  cinnamon; clove; spicy; sweet; vanilla.
SAFC Global® :Cinnamaldehyde
≥93%, natural, Kosher, FG
Odor:  cinnamon; clove; spicy; sweet; vanilla.
Symrise :Cinnamic aldehyde
Odor:  very strong, sweet, balsamic, typically cinnamon, faint almond
Flavor:  sweet, cinnamon.
Ungerer :Cinnamaldehyde
Vigon :Cinnamic Aldehyde
Natural
Odor:  Very strong, sweet, balsamic, typically cinnamon, faint almond
Vigon :Cinnamic Aldehyde
FCC
Odor:  CINNAMON-LIKE

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
Luebke, William tgsc, (1981)
odor sample from :Fritzsche Dodge & Olcott, Inc.
odor description:
Cassia, cinnamon, cinnamon bark and red hots
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
taste description:
at 0.50 ppm.  
Spicy, cinnamon and cinnamon bark
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
substantivity :212 hour(s) at 100.00 %

properties :
appearence :pale yellow to dark yellow clear oily liquid
assay : 98.00 to 100.00 %   sum of isomers
equivalence factor for assay :66.08
Food Chemicals Codex Listed :Yes
specific gravity :1.04600 to 1.05000 @ 25.00 °C.
pounds per gallon - calc. : 8.704 to 8.737
specific gravity :1.05000 to 1.05800 @ 15.00 °C.
pounds per gallon - calc. : 8.755 to 8.822
refractive index :1.61900 to 1.62300 @ 20.00 °C.
melting point : -8.00 to -6.00 °C. @ 760.00 mm Hg
boiling point : 248.00 to 251.00 °C. @ 760.00 mm Hg
boiling point : 131.00 to 132.00 °C. @ 20.00 mm Hg
acid value : 10.00  max.  KOH/g
vapor pressure :0.03000 mm/Hg @ 25.00 °C.
vapor density :4.6 ( Air = 1 )
flash point : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 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.
  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.
Human experience : 8 % solution: skin irritation. 2 % solution: sensitising.
Oral Toxicity(LD50) : 
  Oral-Rat    2200.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Oral-Mouse    2225.00  mg/kg
Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 135, 1972.

intravenous-Mouse    75.00  mg/kg
NIOSH Exchange Chemicals. Vol. NX#07571

Intraperitoneal-Mouse    200.00  mg/kg
FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 16, 1967.

Oral-Guineapig    1160.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  0.59  ml/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :2100.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :59000.00 (μg/capita/day)
Structure Class :I
 
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 IFRA 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 :
See Note (1)
0.02 % (1)Category 2 : 0.02 %
Category 3 : 0.05 %Category 4 : 0.05 %
Category 5 : 0.05 %Category 6 :
See Note (1)
0.40 % (1)
Category 7 : 0.04 %Category 8 : 0.05 %
Category 9 : 0.05 %Category 10 : 0.05 %
Category 11 :See Note (2)
 Notes :
 

For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again.

 

(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).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

recommendation for cinnamaldehyde flavor usage levels up to :
  4900.0000 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...
msds :msds
EPI System :view
IUCLID :view
NLM Hazardous Substances Data Bank :search
IFRA :IFRA - ( Found under : Cinnamic aldehyde )
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
WISER :UN 2810
 
WGK Germany :3
 
 
 
 
3-phenylprop-2-enal
(EINECS) number :203-213-9
RTECS :GD6475000 for cas# 104-55-2
chemidplus :000104552
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :104-55-2
 
 
 
(E)-3-phenylprop-2-enal
chemidplus :014371109
EPA Substance Registry Services :14371-10-9
 
 
 
(Z)-3-phenylprop-2-enal
chemidplus :057194691
EPA Substance Registry Services :57194-69-1

references :
 
3-phenylprop-2-enal
fl. number :05.014
jecfa number :656
NIST Chemistry WebBook :1407649695
pubchem :10502946
 
(E)-3-phenylprop-2-enal
NIST Chemistry WebBook :3418959169
pubchem :169354
Flavornet :14371-10-9
 
(Z)-3-phenylprop-2-enal
NIST Chemistry WebBook :19583838
pubchem :757838

Cosmetics :
Cosmetic uses : denaturants
flavoring agents
perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
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
3-phenylprop-2-enal
 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

potential blenders :    note
 acetophenoneFL/FR
 agrumen nitrileFR
 amber caraneFR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyris wood oilFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 bay leaf oil terpenelessFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resinoidFL/FR
 benzoin resinoid sumatraFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 benzylidene acetoneFL
 bergamot oilFL/FR
alpha-bisaboleneFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
isobutyl cinnamateFL/FR
 canella bark oilFR
 caraway seed oilFL/FR
 cassia bark oilFL/FR
 cassia leaf oil chinaFL/FR
 cassia oleoresinFL
 cedarwood oils 
 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
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl nitrileFR
 cinnamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 citronellolFL/FR
 clove bud oilFL/FR
 copaiba balsam oilFL/FR
 coranolFR
 cubeb oilFL/FR
 cyperus root oilFR
gamma-decalactoneFL/FR
2-decyl furanFL
 dihydrolinaloolFL/FR
 dimethyl anthranilateFL/FR
3,6-dimethyl-3-octanolFL/FR
 dodecanalFL/FR
 ethyl cinnamateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl maltolFL/FR
 ethyl salicylateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
isoeugenyl phenyl acetateFL/FR
 floral pyranolFR
 frankincense absoluteFL/FR
 furfural acetoneFL
2-furfurylidene butyraldehydeFL
 galangal root oleoresinFL
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
(Z)-3-hexen-1-yl cinnamateFR
 ho leaf oilFR
 ho wood oilFR
 lavender absoluteFL/FR
 leerallFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl cinnamateFL/FR
 lovage root oilFL/FR
 mace oil CO2 extractFL/FR
(E)-para-methoxycinnamaldehydeFL/FR
ortho-methoxycinnamaldehydeFL/FR
para-methoxycinnamaldehydeFL/FR
alpha-methyl cinnamaldehydeFL/FR
para-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl eugenolFL/FR
 methyl furfuracrylateFL
 methyl heptadienoneFL/FR
 methyl isoeugenolFL/FR
 musks 
 myrceneFL/FR
 myrrh resinoidFR
 myrtenalFL/FR
gamma-nonalactoneFL/FR
 nutmeg absoluteFL/FR
 nutmeg extract CO2 west indianFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 octyl cinnamateFR
 octyl phenyl acetateFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peru balsam oilFL/FR
 petitgrain oilFL/FR
 phenethyl alcoholFL/FR
 phenethyl propionateFL/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
 santallFR
 spicy acetoacetateFL/FR
 strawberry furanoneFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tetrahydrolinaloolFL/FR
 tolu balsam oilFL/FR
 tonka bean absoluteFR
 tonka undecanoneFR
10-undecen-1-alFL/FR
 vanillinFL/FR
 verymossFR
 woody octeneFR

potential uses :
 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 :    note
 cassia  
 celery seed S
data pagechampaca concrete @ 0.02% S
 cinnamomum burmanni b. 77-80% S
 cinnamomum cassia b. 80-95% leaves S
 cinnamomum laureiri n. stems and roots S
 cinnamomum zeylanicum b. 70-75% S
 cinnamon bark S
 cinnamon leaf S
data pagecinnamon oil CO2 extract @ 77.24-81.47% S
 cinnamon root  
 clove stem S
 cranberry S
 hedychium spicatum h. rhizomes S
 hyacinth S
 lemon balm S
 metaleuca bracteata S
 myrrha slecta h. S
data pagenarcissus absolute @ 0.05% S
 patchouli S
 rose  
 styrax  
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.70% S
 tolu balsam S
data pageylang ylang oil CO2 extract @ 0.21% S



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