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
jecfa number :21
fl. number :13.004
molar refractivity :39.31 ± 0.3 cm3
parachor :334.6 ± 4.0 cm3
index of refraction :1.480 ± 0.02
surface tension :34.3 ± 3.0 dyne/cm
density :1.100 ± 0.06 g/cm3
polarizability :15.58 ± 0.5 10-24cm3
XlogP : 1.30
XlogP3 : 1.60
molecular weight : 152.1473200 (IUPAC)
formula :C8 H8 O3
BioActivity Analysis :81621
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified

Suppliers :
Nanjing :Allyl 2-furoate
Penta :allyl furoate
Pfaltz & Bauer :Allyl Furoate
Sigma-Aldrich-SAFC :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 point : 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 :
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl 2-furoate usage levels up to :
 not for fragrance use.
recommendation for allyl 2-furoate usage levels up to :
  2.0000 ppm in the flavor.

safety references :
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 prop-2-enyl furan-2-carboxylate
(EINECS) number :224-128-3
chemidplus :004208495
EPA Substance Registry Services :4208-49-5
dtp/nci :18604

references :
 prop-2-enyl furan-2-carboxylate
fl. number :13.004
jecfa number :21
NIST Chemistry WebBook :4208495
pubchem :197604

other :
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

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
 acetyl butyryl
2-acetyl furan
 acetyl propionyl
3-acetyl-2,5-dimethyl furan
2-acetyl-3,4,5,6-tetrahydropyridine
2-acetyl-3,5(or 6)-dimethyl pyrazine
isoamyl 3-(2-furan) propionate
isoamyl isovalerate
 benzyl disulfide
 benzyl propionate
 buchu mercaptan
 butyl levulinate
2-oxobutyric acid
gamma-butyrolactone
 campholene acetate
 caramel dione
 caramel furanone
 caramel pentadione
 cassis pentanone
 conifer acetate
 cyclohexyl acetic acid
 cyclohexyl formate
 diacetyl
2,5-diethyl tetrahydrofuran
alpha,alpha-dimethyl anisyl acetone
 dimethyl benzyl carbinyl isobutyrate
2,3-dimethyl pyrazine
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-crotonate
 ethyl 2-hydroxy-2-methyl butyrate
 ethyl 4-pentenoate
 ethyl cyclopentenolone
 ethyl maltol
 ethyl pyruvate
(E)-ethyl tiglate
 ethyl vanillin
5-ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
5-ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
 fenugreek absolute
 furfuryl acetone
 furfuryl alcohol
 furfuryl octanoate
 furfuryl valerate
 geranyl crotonate
 geranyl methyl tiglate
 heliotropyl acetate
 heliotropyl isobutyrate
gamma-heptalactone
 heptanal dimethyl acetal
3,4-hexane dione
5-hydroxymethyl furfural
 immortelle absolute
beta-ionyl acetate
 levulinic acid
 maltol
 maltyl isobutyrate
 maltyl propionate
 mango furanone
 maple furanone
 maple lactone
 menthone lactone
 mesitene lactone
 methyl 2-(methyl thio) butyrate
3-methyl butyl 2-furyl butyrate
 methyl cyclopentenolone
5-methyl furfural
 methyl thiomethyl butyrate
2-methyl-2-pentenoic acid
4-methyl-2,6-dimethoxyphenol
 myrtenal
 neryl propionate
 nutty cyclohexenone
2-octen-4-one
 passiflora acetate
 peanut oxazole
2-pentanoyl furan
 phenethyl acetate
 propyl isobutyrate
 raspberry ketone
 raspberry ketone acetate
 rosefuran
 shoyu furanone
dextro-sorbitol
 strawberry furanone
 strawberry furanone acetate
 tetrahydrofurfuryl acetate
 tetrahydrofurfuryl alcohol
2-thiophene thiol
(E)-tiglic acid
 toffee furanone
 tonka bean absolute
 tonka bean resinoid
(E,E)-2,4-undecadien-1-al
2,4-undecadien-1-al
 vanilla oleoresin
 vanillyl isobutyrate
 viridiflorol

(odor and/or flavor) used in :
 caramel
 coffee
 fruit
 jam
 mushroom
 pineapple
 vanilla

natural occurrence in :
not found in nature



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