allyl 2-furoate
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IUPAC Name - prop-2-enyl furan-2-carboxylate
InChI - InChI=1/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2
InChIKey - SJRQTHAMRUOPBJ-UHFFFAOYAT
SMILES - C=CCOC(=O)C1=CC=CO1
CAS Number : 4208-49-5
(EINECS) Number :224-128-3
FEMA Number :2030
COE Number :360
Molar Refractivity :39.31 ± 0.3 cm3 (est)
Parachor :334.6 ± 4.0 cm3 (est)
Index of Refraction :1.480 ± 0.02 (est)
Surface Tension :34.3 ± 3.0 dyne/cm (est)
Density :1.100 ± 0.06 g/cm3 (est)
Polarizability :15.58 ± 0.5 10-24cm3 (est)
XlogP : 1.30 (est)
XlogP3 : 1.60 (est)
Molecular Weight : 152.1473200 (IUPAC) (PT) (112)
Formula :C8 H8 O3
NMR Predictor :Predict
 
 
Category :flavoring agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Allyl 2-furoate.
Fl@vouring Number : 13.004
FDA Mainterm : ALLYL 2-FUROATE.
Suppliers :
Nanjing :Allyl 2-furoate
orders in chinese.
Penta :allyl furoate
Pfaltz & Bauer :Allyl Furoate
SAFC Global® :Allyl 2-furoate
≥98%
Odor:  caramel; fruity
Organoleptics :
Odor Type :caramellic
Odor Strength :medium
Odor Description:
at 100.00 %.  		caramel fruity jam
Properties :
Appearence :colorless to yellow clear liquid
Assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :1.18100 @ 25.00 °C.
Refractive Index :1.49300 to 1.49700 @ 20.00 °C.
Boiling Point : 206.00 to 209.00 °C. @ 760.00 mm Hg
Flash Ppoint : 205.00  °F.  TCC  ( 96.11 °C. )
logP (o/w) : 1.80
Safety :
Most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
Safety in Use :
Category :flavoring agents
 
IFRA Purity Specification :< 0.1% free allyl alcohol
Recommendation for allyl 2-furoate fragrance usage levels up to :
 not for fragrance use.
Recommendation for allyl 2-furoate flavor usage levels up to :
  2.0000 ppm in the flavor.
Safety References :
EPI System :view
IFRA :view standard
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
prop-2-enyl furan-2-carboxylate
BioActivity Analysis :81621
(EINECS) Number :224-128-3
Chemidplus :004208495
EPA Substance Registry Services :4208-49-5
dtp/nci :18604
References :
 
prop-2-enyl furan-2-carboxylate
NIST Chemistry WebBook :4208495
Pubchem :197604
Other :
Export Tariff Code :2932.19.0000
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
 allyl furan-2-carboxylate
 allyl pyromucate
 prop-2-enyl furan-2-carboxylate
2-propen-1-yl 2-furoate
2-propenyl 2-furoate
2-propenyl furan-2-carboxylate
Similar Products:    note
 butyl 2-furoate
 ethyl 2-furoate
 hexyl 2-furoate
 methyl 2-furoate
 methyl thio-2-furoate
 octyl 2-furoate
 phenethyl 2-furoate
 propyl 2-furoate
Soluble in :
 alcohol
Insoluble in :
 water
Potential Blenders :    note
 acetoinFL/FR
 acetyl butyrylFL/FR
2-acetyl furanFL/FR
 acetyl propionylFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3,4,5,6-tetrahydropyridineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl isovalerateFL/FR
 benzyl disulfideFL
 benzyl propionateFL/FR
 buchu mercaptanFL/FR
 butyl levulinateFL/FR
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 campholene acetateFL/FR
 caramel dioneFL
 caramel furanoneFL
 caramel pentadioneFL/FR
 cassis pentanoneFL/FR
 conifer acetateFL/FR
 cyclohexyl acetic acidFL
 cyclohexyl formateFL/FR
 cycloteneFL/FR
 cyclotene hydrateFL/FR
 diacetylFL
2,5-diethyl tetrahydrofuranFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
2,3-dimethyl pyrazineFL
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-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
 furfuryl acetoneFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl valerateFL
 geranyl crotonateFR
 geranyl methyl tiglate 
 heliotropyl acetateFL/FR
 heliotropyl isobutyrateFL/FR
gamma-heptalactoneFL/FR
 heptanal dimethyl acetalFL/FR
3,4-hexane dioneFL/FR
5-hydroxymethyl furfuralFL
 immortelle absoluteFL/FR
beta-ionyl acetateFL/FR
 levulinic acidFL
 maltolFL/FR
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
 mango furanoneFL
 maple furanoneFL/FR
 menthone lactoneFL/FR
 mesitene lactoneFR
 methyl 2-(methyl thio) butyrateFL
3-methyl butyl 2-furyl butyrateFL
5-methyl furfuralFL/FR
 methyl thiomethyl butyrateFL
2-methyl-2-pentenoic acidFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
 myrtenalFL/FR
 neryl propionateFL/FR
 nutty cyclohexenoneFL/FR
2-octen-4-oneFL/FR
 passiflora acetateFL/FR
 peanut oxazoleFL
2-pentanoyl furanFL
 phenethyl acetateFL/FR
 propyl isobutyrateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 rosefuranFL/FR
 shoyu furanoneFL/FR
dextro-sorbitolCS
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 tetrahydrofurfuryl acetateFL/FR
 tetrahydrofurfuryl alcoholFL/FR
2-thiophene thiolFL
(E)-tiglic acidFL/FR
 toffee furanoneFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
(E,E)-2,4-undecadien-1-alFL
2,4-undecadien-1-alFL
 vanilla oleoresin baliFL/FR
 vanillyl isobutyrateFL/FR
 viridiflorolFL/FR
Potential Uses :
 caramelFL
 coffeeFL
 fruit 
 jam 
 mushroomFL
 pineappleFL
 vanillaFL
Natural Occurrence in :    note
 not found in nature  


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