ethyl 3-(2-furyl) propanoate
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IUPAC name :ethyl 3-furan-2-ylpropanoate
InChI :InChI=1/C9H12O3/c1-2-11-9(10)6-5-8-4-3-7-12-8/h3-4,7H,2,5-6H2,1H3
InChIKey :OWIWZQQFSTZZIG-UHFFFAOYAS
SMILES :CCOC(=O)CCC1=CC=CO1
cas number :10031-90-0
(EINECS) number :233-097-5
fema number :2435
coe number :2091
jecfa number :1513
fl. number :13.022
molar refractivity :43.77 ± 0.3 cm3
parachor :381.9 ± 4.0 cm3
index of refraction :1.466 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :1.064 ± 0.06 g/cm3
polarizability :17.35 ± 0.5 10-24cm3
XlogP : 1.10
molecular weight : 168.1897800 (IUPAC)
formula :C9 H12 O3
BioActivity Analysis :401711
NMR Predictor :Predict
 
 
export tariff code :2932.19.0002
fda reg :172.515
Suppliers :
Penta :ethyl 3(2-furyl) propanoate
SAFC Global® :Ethyl 3-(2-furyl)propanoate
≥98%, Kosher
Odor:  green; pineapple
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		sweet fruity pineapple balsam
Luebke, William tgsc, (1986)
odor sample from :Naarden International
odor description:
Sweet, fruity, pineapple, ripe, acrylate rumy note, horseradish and slightly cooked jammy nuance
Mosciano, Gerard P&F 18, No. 6, 33, (1993)
taste description:
at 15.00 ppm.  		Pineapple, fruity, sweet slightly spicy, tropical, ripe and slightly jammy
Mosciano, Gerard P&F 18, No. 6, 33, (1993)
substantivity :68  Hour(s)
properties :
appearence :pale yellow to yellow clear liquid to solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.04900 to 1.05700 @ 25.00 °C.
pounds per gallon - calc. : 8.729 to 8.795
refractive index :1.45500 to 1.46200 @ 20.00 °C.
melting point : 24.00 to 25.00 °C. @ 760.00 mm Hg
boiling point : 260.00 °C. @ 760.00 mm Hg
boiling point : 120.00 to 121.00 °C. @ 17.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :0.12700 mm/Hg @ 25.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 196.00  °F.  TCC  ( 91.11 °C. )
logP (o/w) : 1.95
safety :
most important hazard(s) :Xn - Harmful.
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for ethyl 3-(2-furyl) propanoate fragrance usage levels up to :
 not for fragrance use.
recommendation for ethyl 3-(2-furyl) propanoate flavor usage levels up to :
  15.0000 ppm in the flavor.
safety references :
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
ethyl 3-furan-2-ylpropanoate
(EINECS) number :233-097-5
chemidplus :010031900
EPA Substance Registry Services :10031-90-0
dtp/nci :97529
references :
 
ethyl 3-furan-2-ylpropanoate
fl. number :13.022
jecfa number :1513
NIST Chemistry WebBook :3746788525
pubchem :197707
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 emanol
 ethyl 2-furan propanoate
 ethyl 2-furan propionate
 ethyl 3-(2-furyl) propionate
 ethyl 3-(alpha-furyl) propionate
 ethyl 3-furan-2-ylpropanoate
 ethyl beta-furyl propionate
 ethyl furyl propionate
2-furan propanoic acid ethyl ester
2-furan propionic acid ethyl ester
soluble in :
 alcohol
 water, very slightly
insoluble in :
 water
potential blenders :    note
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl octanoateFL/FR
 allyl phenyl acetateFL/FR
 allyl propionateFL/FR
 allyl sorbateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
 amyl propionateFL/FR
isoamyl pyruvateFL/FR
 amyl valerateFL/FR
 benzyl ethyl etherFL/FR
 berry pentadienoateFL/FR
isobutyl 2-butenoateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
 butyl formateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 coranolFR
 cyclohexanone diethyl acetalFL/FR
 cyclohexyl hexanoateFL/FR
 decyl propionateFL/FR
 dihydroactinidolideFL
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl (E)-crotonateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-methyl-2-pentenoateFR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl cyclopentenoloneFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl hydrocinnamateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl nonanoateFL/FR
 ethyl propionateFL/FR
 ethyl pyruvateFL/FR
 fruity carboxylateFR
 furfuryl isovalerateFL
 furfuryl valerateFL
 galbanum oxyacetateFR
 geranyl methyl tiglate 
 heptyl acetateFL/FR
3-hexanoneFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
1-hexen-3-olFL/FR
1-hexen-3-yl acetate 
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl propionateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-(methyl thio) butyrateFL
 methyl cinnamateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 methyl octenoateFL/FR
 methyl propionateFL/FR
 methyl tiglateFL
 octyl phenyl acetateFL/FR
2-phenyl propyl butyrateFL/FR
 pineapple hydroxyhexanoateFL/FR
 prenyl formateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl isobutyrateFL/FR
 propyl propionateFL/FR
 pyruvaldehydeFL
 sorbyl propionateFL/FR
 strawberry glycidate 1FL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tropical 3-thiobutyrateFL/FR
potential uses :
 amber
 balsam
 chamomile
 citrus
 floral
 fruit punch
 horseradish
 mango
 pineapple
 woody
natural occurrence in :    note
 rum  

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