(E)-cinnamic acid
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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
XlogP3 : 2.10
molecular weight : 148.1586200 (IUPAC)
formula :C9 H8 O2
BioActivity Analysis :491236
NMR Predictor :Predict
 
 
export tariff code :2916.39.0000
fda reg :unspecified
Suppliers :
Penta :cinnamic acid
SAFC Global® :Cinnamic acid
FG
Odor:  cinnamon; honey; spicy; floral; sweet.
SAFC Global® :Cinnamic acid
≥99%, natural, FCC, Kosher
Odor:  cinnamon; honey; spicy; floral; sweet.
organoleptics :
odor type :balsamic
odor strength :low
odor description:
at 100.00 %.  		balsam sweet storax
substantivity :340  Hour(s)
properties :
appearence :pale amber powder
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 132.00 to 135.00 °C. @ 760.00 mm Hg
boiling point : 295.00 to 305.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.13
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 36/37/39 - 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
 
recommendation for (E)-cinnamic acid fragrance usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for (E)-cinnamic acid flavor usage levels up to :
  1.0000 ppm in the flavor.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
(E)-3-phenylprop-2-enoic acid
(EINECS) number :205-398-1
RTECS :GD7850000 for cas# 140-10-3
chemidplus :000140103
EPA Substance Registry Services :140-10-3
dtp/nci :623441
references :
 
(E)-3-phenylprop-2-enoic acid
NIST Chemistry WebBook :687123341
pubchem :151937
Flavornet :140-10-3
Cosmetics :
Cosmetic uses : perfuming agents
skin conditioning
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
(E)-benzene propenoic acid
(E)-benzylidene acetic acid
(E)-cinnamylic acid
(E)-3-phenyl acrylic acid
(E)-3-phenyl propenoic acid
(E)-3-phenyl-2-propenoic acid
(E)-3-phenylprop-2-enoic acid
soluble in :
 alcohol
 fixed oils
 water, 546 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 acetanisoleFL/FR
para-anisyl acetateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 bay leaf oil terpenelessFL/FR
 benzoin absolute sumatraFL/FR
 benzoin resinoid sumatraFL/FR
 benzyl isoeugenolFL/FR
alpha-bisaboleneFL/FR
isobutyl benzoateFL/FR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl benzoateFL/FR
 copaiba balsam oilFL/FR
 coriander oleoresinFL
 ethyl cinnamateFL/FR
 ethyl salicylateFL/FR
 frankincense absoluteFL/FR
 furfural acetoneFL
 galangal root oleoresinFL
 guaiacwood oilFL/FR
 guaiyl acetateFL/FR
 mace oil CO2 extractFL/FR
 myrceneFL/FR
 myrrh resinoidFR
 nutmeg absoluteFL/FR
 nutmeg extract CO2 west indianFL/FR
2-octanolFL/FR
 opoponax oilFL/FR
 opoponax resinoidFR
 peru balsam oilFL/FR
 phenethyl propionateFL/FR
2-phenoxyethyl formateFR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl acetateFL/FR
 rose absoluteFL/FR
 spicy acetoacetateFL/FR
 tolu balsam oilFL/FR
 tonka undecanoneFR
 woody octeneFR
potential uses :
 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 :    note
 basil S
 cinnamon  
 cocoa leaves S
 peru balsam S
 styrax  

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