2-furfurylidene butyraldehyde
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IUPAC name :2-(furan-2-ylmethylidene)butanal
InChI :InChI=1/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3
InChIKey :UCPFCQBLYDXPTR-UHFFFAOYAM
SMILES :CCC(=CC1=CC=CO1)C=O
cas number :770-27-4
(EINECS) number :212-221-1
fema number :2492
coe number :11885
jecfa number :1501
fl. number :13.043
molar refractivity :43.73 ± 0.3 cm3
parachor :348.8 ± 4.0 cm3
index of refraction :1.522 ± 0.02
surface tension :35.0 ± 3.0 dyne/cm
density :1.047 ± 0.06 g/cm3
polarizability :17.33 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 150.1745000
formula :C9 H10 O2
NMR Predictor :Predict
 
 
IUPAC name :(2E)-2-(furan-2-ylmethylidene)butanal
InChI :InChI=1/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6+
InChIKey :UCPFCQBLYDXPTR-SOFGYWHQBB
SMILES :CC/C(=C\C1=CC=CO1)/C=O
cas number :770-27-4  (E)
molar refractivity :43.73 ± 0.3 cm3
parachor :348.8 ± 4.0 cm3
index of refraction :1.522 ± 0.02
surface tension :35.0 ± 3.0 dyne/cm
density :1.047 ± 0.06 g/cm3
polarizability :17.33 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 150.1745000
formula :C9 H10 O2
NMR Predictor :Predict
 
 
IUPAC name :(2Z)-2-(furan-2-ylmethylidene)butanal
InChI :InChI=1/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3/b8-6-
InChIKey :UCPFCQBLYDXPTR-VURMDHGXBY
SMILES :CC/C(=C/C1=CC=CO1)/C=O
cas number :770-27-4  (Z)
molar refractivity :43.73 ± 0.3 cm3
parachor :348.8 ± 4.0 cm3
index of refraction :1.522 ± 0.02
surface tension :35.0 ± 3.0 dyne/cm
density :1.047 ± 0.06 g/cm3
polarizability :17.33 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 150.1745000
formula :C9 H10 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Cargill - Alfrebro :2-FURFURYLIDENE BUTYRALDEHYDE
natural, Kosher
Penta :2-furfurylidene butyraldehyde
Penta :2-furfurylidene butyraldehyde
natural
organoleptics :
odor type :spicy
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  		spicy cinnamon leather
properties :
appearence :pale yellow to yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05700 to 1.06300 @ 25.00 °C.
pounds per gallon - calc. : 8.795 to 8.845
refractive index :1.57000 to 1.57600 @ 20.00 °C.
boiling point : 140.00 °C. @ 30.00 mm Hg
boiling point : 240.00 °C. @ 760.00 mm Hg
acid value : 3.00  max.  KOH/g
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 2.83
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 2-furfurylidene butyraldehyde usage levels up to :
  0.5000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
 
 
 
 2-(furan-2-ylmethylidene)butanal
(EINECS) number :212-221-1
chemidplus :000770274
EPA Substance Registry Services :770-27-4
 (2E)-2-(furan-2-ylmethylidene)butanal
 (2Z)-2-(furan-2-ylmethylidene)butanal
references :
 2-(furan-2-ylmethylidene)butanal
fl. number :13.043
jecfa number :1501
pubchem :34410248
 (2E)-2-(furan-2-ylmethylidene)butanal
pubchem :197473
 (2Z)-2-(furan-2-ylmethylidene)butanal
pubchem :34182774
other :
synonyms :
alpha-ethyl furylacrolein
2-ethyl-3-(2-furyl) acrylaldehyde
2-ethyl-3-furyl acrolein
2-ethyl-3-furyl-2-propenal
2-(furan-2-ylmethylidene)butanal
2-(2-furanyl methylene) butanal
 furfurylidene-2-butanal
3-furyl-2-ethyl acrolein
3-furyl-2-ethyl-2-propenal
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
alpha-amyl cinnamyl acetate
 benzylidene acetone
4-tert-butyl phenol
2-isobutyl quinoline
isobutyl quinoline
isobutyl quinoline
6-tert-butyl-meta-cresol
 cananga oil
 canella bark oil
 cassia bark oil
 cassia concrete
 cassia leaf oil china
 cassia oleoresin
 castoreum absolute
 cinnamaldehyde
(E)-cinnamaldehyde
(Z)-cinnamaldehyde
 cinnamaldehyde / methyl anthranilate schiff's base
 cinnamaldehyde ethylene glycol acetal
 cinnamon acrolein
 cinnamon bark oil
 cinnamon leaf oil
 cinnamon oleoresin
 cinnamyl acetate
 cinnamyl cinnamate
 cinnamyl nitrile
 citronellol
(±)-citronellol
 coranol
 cubeb oil
 cuminyl alcohol
 cyperus root oil
 dihydrolinalool
2,6-dimethoxy-4-vinyl phenol
 dimethyl octanol
2,3-dimethyl pyrazine
3,6-dimethyl-3-octanol
 ethyl 3-hydroxyhexanoate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
3-ethyl pyridine
isoeugenyl phenyl acetate
 floral methanol
 furfural acetone
(E,E)-2,4-heptadien-1-al
 ho leaf oil
 ho wood oil
 leather cyclohexanol
 leather propionate
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 marine pyridine
(E)-para-methoxycinnamaldehyde
ortho-methoxycinnamaldehyde
para-methoxycinnamaldehyde
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
para-methyl cinnamaldehyde
 methyl cinnamate
 methyl eugenol
4-methyl guaiacol
 methyl heptadienone
6-methyl quinoline
 myrtenal
 oakmoss oil
 octyl phenyl acetate
 orris pyridine
 osmanthus absolute
 phenoxyacetaldehyde 50% in benzyl alcohol
 phenoxyethanol
2-phenoxyethyl formate
3-phenyl propyl acetate
 pimenta leaf oil
 saffron indenone
 tetrahydrolinalool
 thyme undecane
(odor and/or flavor) used in :
 balsam
 cassia
 cassie acacia farnesiana
 cinnamon
 leather
 oriental
 spice
natural occurrence in :
not found in nature



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