2-pentyl furan
 
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IUPAC name :2-pentylfuran
InChI :InChI=1/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey :YVBAUDVGOFCUSG-UHFFFAOYAA
SMILES :CCCCCC1=CC=CO1
(EINECS) number :223-234-7
cas number :3777-69-3
beilstein number :0107854
fema number :3317
coe number :10966
jecfa number :1491
fl. number :13.059
molar refractivity :42.00 ± 0.3 cm3
parachor :357.2 ± 4.0 cm3
index of refraction :1.455 ± 0.02
surface tension :28.5 ± 3.0 dyne/cm
density :0.894 ± 0.06 g/cm3
polarizability :16.65 ± 0.5 10-24cm3
xlogp : 2.90
molecular weight : 138.2068600
formula :C9 H14 O
 
 
fda reg :unspecified h. number :2932.19.0000
organoleptics : 
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fruity green earthy beany vegetable metallic
taste description³ :at 15.00 ppm.  
Green, waxy, with musty, cooked caramellic nuances
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87500 - 0.88300 @ 25.00 °C.
pounds per gallon - calc. : 7.281 to 7.347
refractive index :1.44300 - 1.45000 @ 20.00 °C.
boiling point : 64.00 - 66.00 °C. @ 23.00 mm Hg
boiling point : 57.00 - 59.00 °C. @ 10.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 3.97
safety : 
Oral Toxicity(LD50) : Oral-Mouse    1200.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 114.00  °F.  TCC  ( 45.56 °C. )
  
recommendation for 2-pentyl furan usage levels up to :
  1.0000 % in the fragrance concentrate.
  
recommendation for 2-pentyl furan usage levels up to :
  15.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :223-234-7
rtecs :LU5187000 for 3777-69-3
chemidplus :003777693
epa-srs :3777-69-3
  
other : 
 
references : 
jecfa number :1491
fl. number :13.059
pubchem :162508
NIST Chemistry WebBook :964741082
  
reference : Mosciano, Gerard P&F 16, No. 2, 49, (1991)³
synonyms :
2-amyl furan
2-pentyl furan
2-N-pentyl furan
2-pentylfuran
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
 amyl formate
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
 bean pyrazine
 berry pentadienoate
 bornyl formate
 boronia absolute
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl isobutyrate
isobutyl propionate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
para-cresyl isobutyrate
beta-cyclocitral
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
3-decen-2-one
9-decenoic acid
 diethyl malonate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl methyl-para-tolyl glycidate
2-ethyl-4-butanol
 fir carboxylate
 furfuryl propionate
(E)-geranyl acetone
 geranyl isovalerate
 green dioxolane
(E,E)-2,4-heptadien-1-ol
delta-heptalactone
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl isobutyrate
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(Z)-3-hexen-1-yl tiglate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 lily propanol
 linalyl hexanoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
(E)-methyl geranate
 methyl heptanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
1-nonen-3-ol
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl acetate
 octyl isobutyrate
 papaya isobutyrate
(E)-2-penten-1-al
 phenoxyethyl isobutyrate
2-phenyl propyl acetate
4-phenyl-2-butyl acetate
1-phenyl-2-pentanol
 pineapple pentenoate
 prenol
 prenyl hexanoate
isopropyl 2-methyl butyrate
alpha-isopropyl phenyl acetaldehyde
 rhubarb undecane
 sorbyl isobutyrate
 tetrahydrofurfuryl butyrate
 thiogeraniol
 timber dioxolane
 tropical indene
 tropical thiazole
 vanilla oleoresin
 violet dienyne
 woody acetate
(odor and/or flavor) used in :
 bean
 bread
 caramel
 chicken
 chocolate cocoa
 coffee
 earth humus
 green
 mushroom
 nut
 nut filbert
 nut peanut
 rum
 tobacco tabac tabaco
 tropical
 vegetable
natural occurrence in :
chicken
chicken heated chicken
coffee
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 0.80%
filbert
data pagelavender oil spike spain @ 0.022%
data pagemangrove bark red oil cuba @ 0.10%
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.90%
parsley
peanut
potato chip
sugar heated sugar



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