cinnamic acid
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IUPAC name :3-phenylprop-2-enoic acid
InChI :InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey :WBYWAXJHAXSJNI-VOTSOKGWBT
SMILES :C1=CC=C(C=C1)C=CC(=O)O
cas number :621-82-9
(EINECS) number :210-708-3
beilstein number :0507757
fema number :2288
coe number :22
jecfa number :657
fl. number :08.022
molar refractivity :43.70 ± 0.3 cm3
parachor :332.0 ± 4.0 cm3
index of refraction :1.616 ± 0.02
surface tension :49.7 ± 3.0 dyne/cm
density :1.184 ± 0.06 g/cm3
polarizability :17.32 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 148.1586200 (IUPAC)
formula :C9 H8 O2
BioActivity Analysis :74712
NMR Predictor :Predict
 
 
IUPAC name :(E)-3-phenylprop-2-enoic acid
InChI :InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey :WBYWAXJHAXSJNI-VOTSOKGWBT
SMILES :C1=CC=C(C=C1)\C=C\C(=O)O
cas number :140-10-3
(EINECS) number :205-398-1
beilstein number :1905952
fema number :2288
coe number :22
molar refractivity :43.70 ± 0.3 cm3
parachor :332.0 ± 4.0 cm3
index of refraction :1.616 ± 0.02
surface tension :49.7 ± 3.0 dyne/cm
density :1.184 ± 0.06 g/cm3
polarizability :17.32 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 148.1586200 (IUPAC)
formula :C9 H8 O2
BioActivity Analysis :491236
NMR Predictor :Predict
 
 
IUPAC name :(Z)-3-phenylprop-2-enoic acid
InChI :InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6-
InChIKey :WBYWAXJHAXSJNI-SREVYHEPBT
SMILES :C1=CC=C(C=C1)\C=C/C(=O)O
cas number :102-94-3
fema number :2288
molar refractivity :43.70 ± 0.3 cm3
parachor :332.0 ± 4.0 cm3
index of refraction :1.616 ± 0.02
surface tension :49.7 ± 3.0 dyne/cm
density :1.184 ± 0.06 g/cm3
polarizability :17.32 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 148.1586200 (IUPAC)
formula :C9 H8 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Advanced Biotech :cinnamic acid
98% min. natural
Berje :Cinnamic Acid
Cargill - Alfrebro :CINNAMIC ACID
natural, Kosher
Elan :cinnamic acid
Kosher
Fleurchem :cinnamic acid
natural
Inoue :CINNAMIC ACID
Mooreganics :Cinnamic Acid
Natural (Organic Compliant)
Penta :cinnamic acid
natural
Vigon :Cinnamic Acid
organoleptics :
odor type :balsamic
odor strength :low
odor description :¹
at 100.00 %.  		balsam sweet storax
odor sample from :Berje Inc.
substantivity :400  Hour(s)
properties :
appearence :pale amber powder
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
melting point : 132.00 to 135.00 °C. @ 760.00 mm Hg
boiling point : 298.00 to 300.00 °C. @ 760.00 mm Hg
flash point : 373.00  °F.  TCC  ( 189.44 °C. )
logP (o/w) : 2.13
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    3570.00  mg/kg
(Levenstein, 1976e)

Intraperitoneal-Rat    1600.00  mg/kg

Oral-Mouse    5000.00  mg/kg

intravenous-Mouse    380.00  mg/kg

Intraperitoneal-Mouse    160.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :28.00 (μg/capita/day)
 
recommendation for cinnamic acid usage levels up to :
  2.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 3. Update in publication number(s) : 23
 average usual ppmaverage maximum ppm
baked goods : 232.88000383.67000
beverages(nonalcoholic) : 300.00000400.00000
beverages(alcoholic) : 570.00000712.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 191.68000262.82000
fruit ices : --
gelatins / puddings : 265.00000290.00000
granulated sugar : --
gravies : --
hard candy : 0.010000.01000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 249.38000356.04000
soups : --
sugar substitutes : --
sweet sauces : --
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 3-phenylprop-2-enoic acid
(EINECS) number :210-708-3
chemidplus :000621829
EPA Substance Registry Services :621-82-9
dtp/nci :9189
 
 
 (E)-3-phenylprop-2-enoic acid
(EINECS) number :205-398-1
RTECS :GD7850000 for 140-10-3
chemidplus :000140103
EPA Substance Registry Services :140-10-3
dtp/nci :623441
 
 
 (Z)-3-phenylprop-2-enoic acid
chemidplus :102-94-3
EPA Substance Registry Services :102-94-3
references :
 3-phenylprop-2-enoic acid
fl. number :08.022
jecfa number :657
NIST Chemistry WebBook :4020264653
pubchem :155452
 (E)-3-phenylprop-2-enoic acid
NIST Chemistry WebBook :687123341
pubchem :151937
 (Z)-3-phenylprop-2-enoic acid
pubchem :102-94-3
Cosmetics :
Cosmetic uses : perfuming agents
skin conditioning
other :
reference : Luebke, William tgsc, (1983)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 acidum cinnamylicum
 benzene propenoic acid
 benzylidene acetic acid
 cinnamylic acid
3-phenyl acrylic acid
3-phenyl propenoic acid
3-phenyl propensaeure
3-phenyl-2-propenoic acid
3-phenylprop-2-enoic acid
soluble in :
 alcohol
 water, 570 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetanisole
para-anisyl acetate
 anisyl propanal / methyl anthranilate schiff's base
 bay leaf oil terpeneless
 benzoin absolute sumatra
 benzoin resinoid sumatra
 benzyl isoeugenol
alpha-bisabolene
isobutyl benzoate
 cinnamyl acetate
 cinnamyl alcohol
 cinnamyl benzoate
 copaiba balsam oil
 coriander oleoresin
 ethyl cinnamate
 ethyl salicylate
 frankincense absolute
 furfural acetone
 galangal root oleoresin
 guaiacwood oil
 guaiyl acetate
 mace oil CO2 extract
 myrcene
 myrrh resinoid
 nutmeg absolute
 nutmeg extract CO2 west indian
2-octanol
 opoponax oil
 opoponax resinoid
 peru balsam oil
 phenethyl propionate
2-phenoxyethyl formate
3-phenyl propionaldehyde
3-phenyl propyl acetate
 rose absolute
 spicy acetoacetate
 tolu balsam oil
 tonka undecanone
 woody octene
(odor and/or flavor) used in :
 amber
 apricot
 balsam
 basil
 benzoin
 butterscotch
 cedarwood
 chocolate cocoa
 cinnamon
 fixer
 hay new mown hay foin coupe
 hyacinth jacinthe
 incense
 oriental
 peach
 peru balsam
 raspberry
 tobacco tabac tabaco
 tolu balsam
natural occurrence in :
basil
cinnamon
cocoa leaves
peru balsam
styrax



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