octyl 2-furoate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :octyl furan-2-carboxylate
InChI :InChI=1/C13H20O3/c1-2-3-4-5-6-7-10-16-13(14)12-9-8-11-15-12/h8-9,11H,2-7,10H2,1H3
InChIKey :WVTHGLPXSATJHZ-UHFFFAOYAP
SMILES :CCCCCCCCOC(=O)C1=CC=CO1
(EINECS) number :254-378-9
cas number :39251-88-2
fema number :3518
coe number :10864
jecfa number :750
fl. number :13.073
molar refractivity :62.75 ± 0.3 cm3
parachor :544.5 ± 4.0 cm3
index of refraction :1.468 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :0.993 ± 0.06 g/cm3
polarizability :24.87 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 224.2961000
formula :C13 H20 O3
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
Cargill - Alfrebro :OCTYL-2-FUROATE
 Kosher
 
 

organoleptics :
odor type :waxy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
oily waxy earthy mushroom creamy tallow

properties :
appearence :yellow gold clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98800 @ 25.00 °C.
refractive index :1.47200 @ 20.00 °C.
boiling point : 126.00 - 127.00 °C. @ 1.00 mm Hg
logp : 4.71

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :2.20 (μg/capita/day)
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for octyl 2-furoate usage levels up to :
 not for fragrance use.
  
recommendation for octyl 2-furoate usage levels up to :
  10.0000 ppm in the flavor.
  

safety links :
(EINECS) number :254-378-9
chemidplus :039251882
epa-srs :39251-88-2
  

other :
 

references :
jecfa number :750
fl. number :13.073
pubchem :205087
  
synonyms :
2-furan carboxylic acid octyl ester
 octyl 2-furan carboxylate
 octyl 2-furancarboxylate
 octyl 2-furoate
 octyl-2-furoate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
 acetoin acetate
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl nonyryl
 acetyl propionyl
 allyl methyl trisulfide
 allyl nonanoate
6-amyl-alpha-pyrone
(E)-benzyl tiglate
 benzylidene acetone
isobutyl benzyl carbinol
 butyl butyryl lactate
 butyl lactate
 butyl laevo-lactate
 butyric acid
2-oxobutyric acid
gamma-butyrolactone
 coconut decanone
 creamy lactone
 dairy lactone
delta-decalactone
gamma-decalactone
(E)-2-decen-1-al
1-decen-3-ol
6-decenoic acid
 diacetyl
 dibenzyl ether
1,2-dimethoxybenzene
2,3-dimethyl quinoxaline
 dimethyl sulfoxide
6,8-dimethyl-2-nonanol
delta-2-dodecenolactone
 ethyl palmitate
 ethyl undecylenate
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
 farnesyl acetone
 heptanal 2,3-butane diol acetal
(Z)-4-hepten-1-al
(Z)-4-hepten-1-al diethyl acetal
(Z)-4-hepten-1-ol
3-heptyl dihydro-5-methyl-2(3H)-furanone
 herbal pyran
(E)-3-hexen-1-ol
(Z)-3-hexen-1-yl tiglate
 leaf acetal
 massoia lactone
 melon acetal
 methional
 methyl (Z)-5-octenoate
 methyl 2-furoate
 methyl 2-thiofuroate
6-methyl coumarin
 methyl laurate
4-methyl octanoic acid
dextro,laevo-3-(methyl thio) butanone
tris(methyl thio) methane
1-(methyl thio)-2-butanone
 methyl thiol isovalerate
 mint lactone
delta-nonalactone
2-nonanol
(Z)-3-nonen-1-ol
1-nonen-3-ol
 nonyl octanoate
2,4-octadien-1-ol
gamma-octalactone
1,8-octane dithiol
2-octanol
3-octanol
3-octanone
3-octen-2-ol
(3R)-1-octen-3-ol
1-octen-3-one
1-octen-3-yl butyrate
2-octen-4-one
 octyl acetate
 octyl isobutyrate
 octyl propionate
(E)-2-penten-1-ol
2-pentyl-1-buten-3-one
 phenethyl butyl ether
 phenethyl furoate
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
 strawberry furanone acetate
delta-tetradecalactone
delta-undecalactone
gamma-undecalactone
 undecanoic acid
 vanilla oleoresin
 vanillic acid
 vanillin
 vanillyl acetate
 vanillyl alcohol
 vanillyl isobutyrate
 vanillylidene acetone
(odor and/or flavor) used in :
 meat
 mushroom
 tallow
 tropical
natural occurrence in :
found in nature



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Html Last modified 11/13/2008