(E)-furfurylidene phenyl acetaldehyde
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IUPAC name :(E)-3-furan-2-yl-2-phenylprop-2-enal
InChI :InChI=1/C13H10O2/c14-10-12(9-13-7-4-8-15-13)11-5-2-1-3-6-11/h1-10H/b12-9-
InChIKey :JPESOGFYFXAURP-XFXZXTDPBF
SMILES :C1=CC=C(C=C1)/C(=C\C2=CC=CO2)/C=O
cas number :65545-81-5
fema number :3586
coe number :11928
jecfa number :1502
fl. number :13.137
molar refractivity :59.40 ± 0.3 cm3
parachor :444.9 ± 4.0 cm3
index of refraction :1.604 ± 0.02
surface tension :44.1 ± 3.0 dyne/cm
density :1.148 ± 0.06 g/cm3
polarizability :23.55 ± 0.5 10-24cm3
XlogP : 2.50
molecular weight : 198.2173000
formula :C13 H10 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor description :
berry

properties :
appearence :white solid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 56.00 to 57.00 °C. @ 760.00 mm Hg
boiling point : 326.00 to 327.00 °C. @ 760.00 mm Hg
flash point : 304.00  °F.  TCC  ( 151.11 °C. )
logP (o/w) : 3.91

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for (E)-furfurylidene phenyl acetaldehyde usage levels up to :
 not for fragrance use.

safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 (E)-3-furan-2-yl-2-phenylprop-2-enal
chemidplus :057568602
EPA Substance Registry Services :65545-81-5

references :
 (E)-3-furan-2-yl-2-phenylprop-2-enal
fl. number :13.137
jecfa number :1502
NIST Chemistry WebBook :65545815
pubchem :198643

other :
synonyms :
(E)-3-furan-2-yl-2-phenylprop-2-enal
(E)-3-(2-furyl)-2-phenyl prop-2-enal
(E)-3-(2-furyl)-2-phenyl-2-propenal
(E)-2-phenyl-3-(2-furyl) prop-2-enal
(E)-2-phenyl-3-(2-furyl)-2-propenal

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin butyrate
 allyl benzoate
 ambrette seed absolute
isoamyl 2-methyl butyrate
 artemisyl ketone
3-benzyl-4-heptanone
 berry pentadienoate
 blackberry thiophenone
 buchu mercaptan
isobutyl anthranilate
 butyl hexanoate
 butyl valerate
 campholene acetate
 conifer acetate
beta-damascenone
 davana oil
isodihydrolavandulal
 ethyl 2-methyl-2-pentenoate
2-ethyl butyric acid
 ethyl levulinate
 ethyl methyl-para-tolyl glycidate
 ethyl valerate
 fir balsam absolute
 furfuryl isovalerate
 geranyl isovalerate
 heliotropyl acetone
 herbal undecanone
 hexyl isobutyrate
 hexyl octanoate
beta-ionone
beta-ionyl acetate
 juniper berry oleoresin
 maltyl isobutyrate
 mango thiol
 methyl (E)-cinnamate
 methyl beta-ionol
 methyl furfuryl disulfide
 methyl propionate
2-methyl-3-pentenoic acid
3-nonen-2-one
3-octen-2-one
 octyl propionate
 osmanthus absolute
2-phenethyl isothiocyanate
3-phenyl propyl isovalerate
isopropenyl acetate
 propyl formate
isopropyl hexanoate
 prune glycidate
 raspberry ketone acetate
 rose carboxylate
 strawberry furanone
 strawberry glycidate 1
 tetrahydroionyl acetate
4-(para-tolyl)-2-butanone
 vanilla carboxylate

natural occurrence in :
not found in nature



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