tetrahydrofurfuryl propionate
 
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IUPAC name :oxolan-2-ylmethyl propanoate
InChI :InChI=1/C8H14O3/c1-2-8(9)11-6-7-4-3-5-10-7/h7H,2-6H2,1H3
InChIKey :FMKCDSXOYLTWBR-UHFFFAOYAC
SMILES :CCC(=O)OCC1CCCO1
(EINECS) number :211-297-3
cas number :637-65-0
fema number :3058
coe number :11843
jecfa number :1445
fl. number :13.049
molar refractivity :40.41 ± 0.3 cm3
parachor :373.1 ± 4.0 cm3
index of refraction :1.438 ± 0.02
surface tension :34.6 ± 3.0 dyne/cm
density :1.028 ± 0.06 g/cm3
polarizability :16.02 ± 0.5 10-24cm3
xlogp : 0.80
molecular weight : 158.1949600
formula :C8 H14 O3
BioActivity Analysis :452169
 
 
fda reg :172.515 h. number :2915.50.3000
organoleptics : 
odor type :nutty
odor strength :medium
odor description¹ :
at 100.00 %.  
oily paint fruity violet leaf tropical
taste description³ :at 500.00 ppm.  
Oily, musty, tropical, etherial, rummy, with a fruity nuance
substantivity :4 hour(s) at 100.00 %
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.02800 - 1.03500 @ 25.00 °C.
pounds per gallon - calc. : 8.554 to 8.612
refractive index :1.43500 - 1.44500 @ 20.00 °C.
boiling point : 207.00 °C. @ 760.00 mm Hg
boiling point : 64.00 - 68.00 °C. @ 3.00 mm Hg
acid value : 4.00  max.  KOH/g
logp : 1.39
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 198.00  °F.  TCC  ( 92.22 °C. )
  
recommendation for tetrahydrofurfuryl propionate usage levels up to :
  5.0000 % in the fragrance concentrate.
  
recommendation for tetrahydrofurfuryl propionate usage levels up to :
  500.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :211-297-3
chemidplus :000637650
epa-srs :637-65-0
dtp/nci :203419
  
other : 
 
references : 
jecfa number :1445
fl. number :13.049
pubchem :197443
NIST Chemistry WebBook :3946772525
  
reference : Luebke, William tgsc, (2007)¹
reference : Mosciano, Gerard P&F 23, No. 5, 49, (1998)³
synonyms :
 propionic acid tetrahydrofurfuryl ester
 tetrahydro-2-furyl methyl propionate
 tetrahydrofurfuryl propanoate
 tetrahydrofurfuryl propionate
dextro,laevo-tetrahydrofurfuryl propionate
2-tetrahydrofuryl methyl propionate
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl hexanoate
 allyl phenyl acetate
isoamyl pyruvate
 berry pentadienoate
 butyl acetoacetate
isobutyl butyrate
 butyl formate
 butyl lactate
 butyl laevo-lactate
 cognac oil white
 cyclohexanone diethyl acetal
 decyl propionate
 dibutyl sulfide
 diisoamyl thiomalate
 ethyl (E)-crotonate
 ethyl 2-methyl-2-pentenoate
 ethyl acetate
 ethyl cyclopentenolone
 ethyl heptanoate
 ethyl hydrocinnamate
 ethyl nonanoate
 ethyl propionate
 ethyl pyruvate
 fruity carboxylate
 geranyl acetoacetate
 geranyl methyl tiglate
 heptanol
 heptyl acetate
3-hexanone
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl phenyl acetate
1-hexen-3-ol
1-hexen-3-yl acetate
 linalyl propionate
 methyl octine carbonate
 methyl propionate
 methyl thiol isovalerate
 methyl tiglate
(E,E)-2,4-nonadien-1-al
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-al diethyl acetal
(E,Z)-2,6-nonadien-1-ol
 orris root concrete
2-phenyl propyl butyrate
 prenyl formate
 propyl alcohol
 propyl formate
 pyruvaldehyde
 tetrahydrofurfuryl acetate
 valeraldehyde
 violet decenol
 violet dienyne
 violet leaf concrete
(odor and/or flavor) used in :
 apricot
 banana
 caramel
 chocolate
 fruit
 herbal
 nut
 rum
 tropical
natural occurrence in :
not found in nature



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