ethyl 2-phenyl-3-furoate
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IUPAC name :ethyl 2-phenylfuran-3-carboxylate
InChI :InChI=1/C13H12O3/c1-2-15-13(14)11-8-9-16-12(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey :VMAQXZDICAYJMS-UHFFFAOYAM
SMILES :CCOC(=O)C1=C(OC=C1)C2=CC=CC=C2
cas number :50626-02-3
(EINECS) number :256-663-3
fema number :3468
coe number :2309
jecfa number :752
fl. number :13.038
molar refractivity :59.55 ± 0.3 cm3
parachor :479.2 ± 4.0 cm3
index of refraction :1.532 ± 0.02
surface tension :38.8 ± 3.0 dyne/cm
density :1.126 ± 0.06 g/cm3
polarizability :23.60 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 216.2325800
formula :C13 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified

Suppliers :
Frutarom :PHENYL OXAROMATE
≥99.00%, Kosher
Odor:  Cherry, Fruity
IFF :Phenyl Oxaromate-681
≥99.00%, Kosher
Penta :2-phenyl-3-carbethoxyfuran

organoleptics :
odor type :fruity
odor strength :medium
odor description :
at 100.00 %.  
cherry fruity

properties :
appearence :pale yellow to gold clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.12000 to 1.13200 @ 20.00 °C.
pounds per gallon - calc. : 9.330 to 9.430
refractive index :1.51500 to 1.52700 @ 20.00 °C.
boiling point : 331.00 to 332.00 °C. @ 760.00 mm Hg
boiling point : 148.00 to 154.00 °C. @ 6.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor density :7.4 ( Air = 1 )
flash point : 212.00  °F.  TCC  ( 100.00 °C. )
logP (o/w) : 3.04
shelf life : 6.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
 
recommendation for ethyl 2-phenyl-3-furoate usage levels up to :
  1.0000 % in the fragrance concentrate.

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
 
 
 
 ethyl 2-phenylfuran-3-carboxylate
(EINECS) number :256-663-3
chemidplus :050626023
EPA Substance Registry Services :50626-02-3

references :
 ethyl 2-phenylfuran-3-carboxylate
fl. number :13.038
jecfa number :752
pubchem :198469

other :
synonyms :
 ethyl 2-phenyl-3-furan carboxylate
 ethyl 2-phenylfuran-3-carboxylate
 phenyl oxaromate
2-phenyl-3-carbethoxyfuran
2-phenyl-3-furan carboxylic acid ethyl ester

soluble in :
 alcohol
 oils
 propylene glycol

insoluble in :
 water

(odor and/or flavor) blends with :
para-anisyl propionate
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde dimethyl acetal
 benzaldehyde glycrol acetal
 benzyl cinnamate
 cherry notes
 cherry oxyacetate
 cherry propanol
 ethyl benzoyl acetate
 geranyl crotonate
2-hexen-1-al
 methyl furfuracrylate
 raspberry ketone methyl ether
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde

(odor and/or flavor) used in :
 blackberry
 cherry
 cherry blossom
 fruit tropical fruit
 nut
 raspberry

natural occurrence in :
not found in nature



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