2-heptyl furan
 
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IUPAC name :2-heptylfuran
InChI :InChI=1/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
InChIKey :BHTUFJXTYNLISA-UHFFFAOYAW
SMILES :CCCCCCCC1=CC=CO1
(EINECS) number :223-236-8
cas number :3777-71-7
fema number :3401
coe number :10952
jecfa number :1492
fl. number :13.069
molar refractivity :51.26 ± 0.3 cm3
parachor :436.7 ± 4.0 cm3
index of refraction :1.458 ± 0.02
surface tension :29.3 ± 3.0 dyne/cm
density :0.886 ± 0.06 g/cm3
polarizability :20.32 ± 0.5 10-24cm3
xlogp : 4.00
molecular weight : 166.2600200
formula :C11 H18 O
 
 
fda reg :unspecified h. number :2932.19.0000
organoleptics : 
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
green fatty oily roasted nutty
taste description³ :at 5.00 ppm.  
Fatty, vegetative, Iactonic, herbal and oily with a tropical nuance
properties : 
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85600 - 0.87200 @ 25.00 °C.
pounds per gallon - calc. : 7.123 to 7.256
refractive index :1.44000 - 1.46000 @ 20.00 °C.
boiling point : 209.00 - 210.00 °C. @ 760.00 mm Hg
boiling point : 97.00 °C. @ 30.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 5.03
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 167.00  °F.  TCC  ( 75.00 °C. )
  
recommendation for 2-heptyl furan usage levels up to :
  0.3000 % in the fragrance concentrate.
  
safety links : 
(EINECS) number :223-236-8
chemidplus :003777717
epa-srs :3777-71-7
  
other : 
 
references : 
jecfa number :1492
fl. number :13.069
pubchem :162509
NIST Chemistry WebBook :2529616382
  
reference : Mosciano, Gerard P&F 23, No. 1, 33, (1998)³
synonyms :
2-heptyl furan
2-heptylfuran
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetoin
 acetyl nonyryl
2-acetyl-3-methyl pyrazine
 butyl butyryl lactate
isobutyl methyl ketone
 butyric acid
3,6-cocoa pyrazine
 coconut decanone
 dairy lactone
2,4-decadien-1-al
delta-decalactone
3-decen-2-one
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
 dihydroxyacetophenone
2,5-dimethyl thiazole
4,5-dimethyl thiazole
2,5-dithiahexane
 dodecanal
 dodecanal dimethyl acetal
 epoxy-2-decenal
2-ethyl butyric acid
 ethyl hexanoate
 fresh carbaldehyde
 furfuryl hexanoate
 furfuryl thioacetate
 guaiyl acetate
(E,E)-2,4-heptadien-1-al
 heptanal 2,3-butane diol acetal
 heptanal cyclic propylene acetal
3-heptanone
(Z)-4-hepten-1-al
2-hepten-1-al
3-heptyl dihydro-5-methyl-2(3H)-furanone
 hexanal
 hexanal butane-2,3-diol acetal
 hexanal octane-1,3-diol acetal
 hexyl (E)-2-hexenoate
alpha-hexyl cinnamaldehyde dimethyl acetal
 methyl (Z)-5-octenoate
 methyl 2-hexenoate
 methyl 2-methyl butyrate
3-methyl crotonic acid
 methyl dihydrojasmonate
4-methyl octanoic acid
3-(methyl thio) methyl thiophene
S-(methyl thio) propionate
(E,Z)-2,6-nonadien-1-al
2,4-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
 nonanoic acid
(E)-2-nonen-1-al
(E,E)-2,4-octadien-1-al
delta-octalactone
gamma-octalactone
(E)-2-octen-1-al
2-octen-1-al
(E)-2-octen-1-yl acetate
 octen-1-yl cyclopentanone
 propionic acid
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
delta-tetradecalactone
2-tridecanone
 undecanal
 vanillic acid
(odor and/or flavor) used in :
 apricot
 cheese
 cream
 dairy
 mango
 nut filbert
 papaya
 potato
natural occurrence in :
beef roasted beef
chicken cooked chicken
filbert roasted filbert



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