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
cas number :3777-71-7
(EINECS) number :223-236-8
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 (IUPAC)
formula :C11 H18 O
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Endeavour :2-Heptylfuran
99%
Penta :2-heptylfuran
SAFC Global® :2-Heptylfuran
≥98%, Kosher
Odor:  nutty
Treatt :2-Heptylfuran
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 lactonic oily roasted nutty
odor description:
Green, fatty, Iactonic, oily and dairy with a meaty nuance
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
taste description:
at 5.00 ppm.  		Fatty, vegetative, Iactonic, herbal and oily with a tropical nuance
Mosciano, Gerard P&F 23, No. 1, 33, (1998)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85600 to 0.87200 @ 25.00 °C.
pounds per gallon - calc. : 7.123 to 7.256
refractive index :1.44000 to 1.46000 @ 20.00 °C.
boiling point : 209.00 to 210.00 °C. @ 760.00 mm Hg
boiling point : 97.00 °C. @ 30.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 167.00  °F.  TCC  ( 75.00 °C. )
logP (o/w) : 5.03
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for 2-heptyl furan fragrance usage levels up to :
 not for fragrance use.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-heptylfuran
(EINECS) number :223-236-8
chemidplus :003777717
EPA Substance Registry Services :3777-71-7
references :
 
2-heptylfuran
fl. number :13.069
jecfa number :1492
NIST Chemistry WebBook :2529616382
pubchem :162509
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-heptylfuran
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetyl nonyrylFL/FR
2-acetyl-3-methyl pyrazineFL/FR
 butyl butyryl lactateFL/FR
isobutyl methyl ketoneFL/FR
 butyric acidFL
3,6-cocoa pyrazineFL
 coconut decanoneFR
 dairy lactoneFL/FR
2,4-decadien-1-alFL
delta-decalactoneFL/FR
3-decen-2-oneFL/FR
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dihydroxyacetophenoneFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dithiahexaneFL
 dodecanalFL/FR
 dodecanal dimethyl acetalFL/FR
 epoxy-2-decenalFL
2-ethyl butyric acidFL/FR
 ethyl hexanoateFL/FR
 fresh carbaldehydeFR
 furfuryl hexanoateFL
 furfuryl thioacetateFL
 guaiyl acetateFL/FR
(E,E)-2,4-heptadien-1-alFL/FR
 heptanal 2,3-butane diol acetalFL
 heptanal cyclic propylene acetalFL/FR
3-heptanoneFL/FR
(Z)-4-hepten-1-alFL/FR
2-hepten-1-alFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 hexanalFL/FR
 hexanal butane-2,3-diol acetalFL
 hexanal octane-1,3-diol acetalFL
 hexyl (E)-2-hexenoateFL
alpha-hexyl cinnamaldehyde dimethyl acetal 
 methyl (Z)-5-octenoateFL
 methyl 2-hexenoateFL/FR
 methyl 2-methyl butyrateFL/FR
3-methyl crotonic acidFL
 methyl dihydrojasmonateFL/FR
4-methyl octanoic acidFL
3-(methyl thio) methyl thiopheneFL
S-(methyl thio) propionateFL
(E,Z)-2,6-nonadien-1-alFL/FR
2,4-nonadien-1-alFL
(E,Z)-3,6-nonadien-1-olFL/FR
2,4-nonadien-1-olFL/FR
 nonanoic acidFL
(E)-2-nonen-1-alFL/FR
(E,E)-2,4-octadien-1-alFL
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
(E)-2-octen-1-alFL/FR
2-octen-1-alFL/FR
(E)-2-octen-1-yl acetateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 propionic acidFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
delta-tetradecalactoneFL/FR
2-tridecanoneFL/FR
 undecanalFL/FR
 vanillic acidFL/FR
potential uses :
 apricot
 cheese
 cream
 dairy
 mango
 nut filbert
 papaya
 potato
natural occurrence in :    note
 beef roasted beef  
 chicken cooked chicken  
 filbert roasted filbert  

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