furfuryl octanoate
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :furan-2-ylmethyl octanoate
InChI :InChI=1/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3
InChIKey :JNIWCVWKECYDSV-UHFFFAOYAM
cas number :39252-03-4
(EINECS) number :254-381-5
fema number :3396
coe number :10645
jecfa number :742
fl. number :13.067
molar refractivity :62.30 ± 0.3 cm3
parachor :541.0 ± 4.0 cm3
index of refraction :1.468 ± 0.02
surface tension :33.9 ± 3.0 dyne/cm
density :1.001 ± 0.06 g/cm3
polarizability :24.70 ± 0.5 10-24cm3
XlogP : 3.70
molecular weight : 224.2961000 (IUPAC)
formula :C13 H20 O3
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Cargill :FURFURYL OCTANOATE
Kosher
Odor:  Fruity, Peach
Inoue :FURFURYL OCTANOATE
Penta :alpha-furfuryl octanoate
SAFC Global® :Furfuryl octanoate
≥98%
Odor:  peach
organoleptics :
odor type :waxy
odor strength :medium
odor description:
at 100.00 %.  		sweet waxy metallic fruity peach
Luebke, William tgsc, (1997)
odor sample from :Cargill, Inc.
odor description:
Sweet, waxy, metallic, slightly fruity with bready and caramellic nuances
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
taste description:
at 20.00 ppm.  		Waxy and fruity
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
substantivity :200  Hour(s)
properties :
appearence :yellow clear liquid
assay : 98.00 to 100.00 %   
equivalence factor for assay :112.15
Food Chemicals Codex Listed :No
specific gravity :0.98000 to 0.98900 @ 25.00 °C.
pounds per gallon - calc. : 8.155 to 8.229
refractive index :1.45600 to 1.46400 @ 20.00 °C.
boiling point : 139.00 °C. @ 10.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 4.28
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :6.00 (μg/capita/day)
Structure Class :III
 
recommendation for furfuryl octanoate fragrance usage levels up to :
 not for fragrance use.
recommendation for furfuryl octanoate flavor usage levels up to :
  20.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
furan-2-ylmethyl octanoate
(EINECS) number :254-381-5
chemidplus :039252034
EPA Substance Registry Services :39252-03-4
references :
 
furan-2-ylmethyl octanoate
fl. number :13.067
jecfa number :742
NIST Chemistry WebBook :3028567610
pubchem :198426
other :
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 furan-2-ylmethyl octanoate
2-furanyl methyl octanoate
 furfuryl caprylate
alpha-furfuryl caprylate
2-furfuryl octanoate
alpha-furfuryl octanoate
 octanoic acid 2-furanyl methyl ester
 octanoic acid furfuryl ester
Similar Products:    note
 allyl octanoate
 amyl octanoate
isoamyl octanoate
 benzyl octanoate
 butyl octanoate
isobutyl octanoate
 citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
 decyl octanoate
 ethyl 4-methyl octanoate
 ethyl octanoate
 geranyl octanoate
 heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
 hexyl octanoate
 linalyl octanoate
2-methyl butyl octanoate
 methyl octanoate
 nonyl octanoate
 octyl octanoate
 phenethyl octanoate
 propyl octanoate
isopropyl octanoate
 sulfuryl octanoate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyrroleFL/FR
2-acetyl-2-thiazolineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 allyl 2-furoateFL
isoamyl 3-(2-furan) propionateFL/FR
 benzyl disulfideFL
 butyl levulinateFL/FR
 butyraldehydeFL
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 caraway seed oleoresinFL
 coffee furanoneFL
 cyclohexyl acetic acidFL
 diacetylFL
2,5-diethyl tetrahydrofuranFL
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
2,3-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
 ethyl (E)-crotonateFL/FR
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl maltolFL/FR
 ethyl pyruvateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl vanillinFL/FR
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-oneFL/FR
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-oneFL
 fenugreek absoluteFL/FR
 filbert pyrazineFL
 furfuralFL
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
gamma-heptalactoneFL/FR
3,4-hexane dioneFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 maple lactoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
3-methyl butyl 2-furyl butyrateFL
 methyl cyclopentenoloneFL/FR
5-methyl furfuralFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
(E)-12-musk decenoneFR
 nutty cyclohexenoneFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
 pinacolFL/FR
2-propionyl thiazoleFL
 rosefuranFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
isovaleraldehyde propylene glycol acetalFL/FR
 vanilla oleoresinFL/FR
 vanillyl isobutyrateFL/FR
potential uses :
 caramel
 cream
 fruit
 milk
 peach
 waxy
natural occurrence in :    note
 not found in nature  

information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 03/10/2010