methyl furfuryl mercaptopropionate
 
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IUPAC name :methyl 3-(2-furylmethylsulfanyl)propanoate
InChI :InChI=1/C9H12O3S/c1-11-9(10)4-6-13-7-8-3-2-5-12-8/h2-3,5H,4,6-7H2,1H3
InChIKey :MXXNUXUTQGTBGJ-UHFFFAOYAV
SMILES :COC(=O)CCSCc1ccco1
(EINECS) number :304-715-1
cas number :94278-26-9
fema number :4538
fl. number :13.143
molar refractivity :51.77 ± 0.3 cm3
parachor :432.5 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.164 ± 0.06 g/cm3
polarizability :20.52 ± 0.5 10-24cm3
molecular weight : 200.2547800
formula :C9 H12 O3 S
 
 
export tariff code :2915.50.3000
fda reg :unspecified
 

Suppliers :
Oxford Chemicals Ltd :METHYL FURFURYLMERCAPTOPROPIONATE
 ≥98.00%, NI, Kosher
 
Treatt :Methyl-3(furfurylthio)propionate
Treatt USA :Methyl-3(furfurylthio)propionate
 
 

organoleptics :
odor type :earthy
odor description :
earthy fruity

properties :
appearence :pale yellow to amber clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.16000 - 1.18000 @ 25.00 °C.
pounds per gallon - calc. : 9.652 to 9.819
refractive index :1.50900 - 1.51900 @ 20.00 °C.
boiling point : 116.00 - 118.00 °C. @ 0.20 mm Hg
boiling point : 338.00 - 339.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 1.97

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 197.00  °F.  TCC  ( 91.67 °C. )
  
recommendation for methyl furfuryl mercaptopropionate usage levels up to :
 not for fragrance use.
  

safety links :
(EINECS) number :304-715-1
chemidplus :094278269
epa-srs :94278-26-9
  

other :
 

references :
fl. number :13.143
pubchem :3798830
  
synonyms :
 methyl 3-(furfuryl thio) propionate
 methyl furfuryl mercaptopropionate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
6,8-dimethyl-2-nonanol
 melon acetal
 methyl 2-furoate
 methyl 3-hexenoate
2-methyl butyl isovalerate
 methyl furfuryl mercaptopropionate
 octyl propionate
 timber dioxolane
(odor and/or flavor) used in :
 chocolate
 coffee
 meat
 mushroom
 tomato
natural occurrence in :
found in nature



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