toffee furanone
 
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IUPAC name :4-hydroxy-5-methylfuran-3-one
InChI :InChI=1/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3
InChIKey :DLVYTANECMRFGX-UHFFFAOYAB
SMILES :CC1=C(C(=O)CO1)O
(EINECS) number :242-961-0
cas number :19322-27-1
fema number :3635
coe number :11785
jecfa number :1450
fl. number :13.085
molar refractivity :26.07 ± 0.3 cm3
parachor :223.2 ± 6.0 cm3
index of refraction :1.544 ± 0.02
surface tension :53.6 ± 3.0 dyne/cm
density :1.382 ± 0.06 g/cm3
polarizability :10.33 ± 0.5 10-24cm3
xlogp : 0.50
molecular weight : 114.0993400
formula :C5 H6 O3
 
 
fda reg :unspecified h. number :2932.19.0000
organoleptics : 
odor type :caramellic
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description¹ :
at 10.00 % in dipropylene glycol.  
sweet cotton candy sugar caramel bready
substantivity :83 hour(s) at 10.00 % in dipropylene glycol
properties : 
appearence :white to brown crystals
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 129.00 - 133.00 °C. @ 760.00 mm Hg
boiling point : 215.00 - 217.00 °C. @ 760.00 mm Hg
logp : -0.15
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 207.00  °F.  TCC  ( 97.22 °C. )
  
recommendation for toffee furanone usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for toffee furanone usage levels up to :
  0.1000 % in the flavor.
  
safety links : 
(EINECS) number :242-961-0
chemidplus :019322271
epa-srs :19322-27-1
  
other : 
 
references : 
pubchem :204649
NIST Chemistry WebBook :4029538938
  
reference : Luebke, William tgsc, (2007) ¹
synonyms :
norfuraneol
4-hydroxy-5-methyl furan-3(2H)-one
4-hydroxy-5-methyl-2,3-dihydrofuran-3-one
4-hydroxy-5-methyl-3(2H)-furanone
5-methyl-4-hydroxy-3,2H-furanone
 toffee furanone
soluble in :
 dipropylene glycol
 propylene glycol
(odor and/or flavor) blends with :
 acetoin
2-acetyl pyrazine
2-acetyl pyridine
2-acetyl-2-thiazoline
 ambroxan
para-anisyl acetate
 beeswax absolute
 benzyl salicylate
 blood orange oil
 cassia bark oil
 coffee furanone
 currant bud absolute black
gamma-decalactone
 ethyl maltol
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl acetate
 fenugreek absolute
 fir balsam absolute
 floral pyranol
 heliotropin
 heliotropyl acetone
alpha-hexyl cinnamaldehyde
 immortelle absolute
 ionones
 maltol
 maple notes
 melon heptenal
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl octine carbonate
 methyl phenyl acetate
 mimosa absolute
 musks
beta-naphthyl ethyl ether
 nerolidol
(E,Z)-2,6-nonadien-1-ol
(Z)-6-nonen-1-al
 ocean propanal
gamma-octalactone
 osmanthus absolute
3-phenyl propyl alcohol
 pineapple ketone
 raspberry ketone
 rose oxides
 santall
 strawberry furanone
 sugar notes
 tonka bean absolute
2,4,5-trimethyl thiazole
gamma-undecalactone
 vanillin
 verymoss
 violet leaf absolute
(odor and/or flavor) used in :
 caramel
 cotton candy
 sugar
 tobacco tabac tabaco
 toffee
natural occurrence in :
found in nature



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