propyl 2-furoate
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IUPAC name :propyl furan-2-carboxylate
InChI :InChI=1/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3
InChIKey :HSCVIIISAAEVQT-UHFFFAOYAB
SMILES :CCCOC(=O)C1=CC=CO1
cas number :615-10-1
(EINECS) number :210-407-7
beilstein number :0116684
fema number :2946
coe number :359
jecfa number :747
fl. number :13.003
molar refractivity :39.59 ± 0.3 cm3
parachor :345.6 ± 4.0 cm3
index of refraction :1.465 ± 0.02
surface tension :34.0 ± 3.0 dyne/cm
density :1.077 ± 0.06 g/cm3
polarizability :15.69 ± 0.5 10-24cm3
XlogP : 1.40
molecular weight : 154.1632000
formula :C8 H10 O3
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified

Suppliers :
Cargill - Alfrebro :PROPYL-2-FUROATE
Kosher
Penta :propyl 2-furoate

organoleptics :
odor type :herbal
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
sweet herbal earthy

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.06700 to 1.07500 @ 25.00 °C.
pounds per gallon - calc. : 8.879 to 8.945
refractive index :1.47100 to 1.47500 @ 20.00 °C.
boiling point : 211.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.34000 mm/Hg @ 25.00 °C.
flash point : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 1.93

safety :
Oral Toxicity(LD50) :
  Intraperitoneal-Rat    75.00  mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 174, 1936.

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
 
recommendation for propyl 2-furoate usage levels up to :
 not for fragrance use.

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
 
 
 
 propyl furan-2-carboxylate
(EINECS) number :210-407-7
chemidplus :000615101
EPA Substance Registry Services :615-10-1
dtp/nci :35559

references :
 propyl furan-2-carboxylate
fl. number :13.003
jecfa number :747
NIST Chemistry WebBook :2561422754
pubchem :155293

other :
synonyms :
2-furan carboxylic acid propyl ester
2-furoic acid N-propyl ester
2-furoic acid propyl ester
 propyl 2-furan carboxylate
 propyl furan-2-carboxylate
N-propyl pyromucate

soluble in :
 alcohol
 water, 1630 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 bornyl formate
 dihydro-alpha-ionone
dextro-fenchone
 geranium concrete
 geranium oil moroccan
 herbal ketone
 hydroxymethyl hexyl ethyl ketone
2-methyl-3-buten-2-ol
2-nonanone
1,5-octadien-3-ol
(Z)-4-octen-1-ol
isooctyl acetate
 oregano oleoresin
 spathulenol
2-tridecanone

(odor and/or flavor) used in :
 fixer
 herbal
 lavender

natural occurrence in :
not found in nature



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