2-methyl 5-(methyl thio) furan
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IUPAC name :2-methyl-5-methylsulfanylfuran
InChI :InChI=1/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
InChIKey :RESBOJMQOGJOMW-UHFFFAOYAZ
SMILES :CC1=CC=C(O1)SC
cas number :13678-59-6
(EINECS) number :237-170-2
fema number :3366
coe number :11550
jecfa number :1062
fl. number :13.065
molar refractivity :36.49 ± 0.4 cm3
parachor :289.5 ± 6.0 cm3
index of refraction :1.528 ± 0.03
surface tension :35.8 ± 5.0 dyne/cm
density :1.08 ± 0.1 g/cm3
polarizability :14.46 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 128.1921200 (IUPAC)
formula :C6 H8 O S
NMR Predictor :Predict
 
 
export tariff code :2932.19.0000
fda reg :unspecified
Suppliers :
Endeavour :5-Methyl-2-(methylthio)furan
99%
Frutarom :2-METHYL-5-(METHYLTHIO)FURAN
NI, Kosher
Odor:  Alliaceous, Bread, Creamy, Warm
Suggested Uses: Cheese, Dairy Products, Savoury, Vegetables
Penta :2-methyl 5-(methylthio) furan
Treatt :5-Methylthio)propyl acetate
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		sulfury onion garlic coffee mustard horseradish
odor description:
Sulfureous, onion, garlic, coffee and mustard-like with pungent horseradish and peppery nuances
Mosciano, Gerard P&F 20, No. 1, 31, (1995)
taste description:
at 50.00 ppm.  		Musty, mustard, onion, garlic, mushroom, coffee and savory nuances
Mosciano, Gerard P&F 20, No. 1, 31, (1995)
properties :
appearence :pale yellow to yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05500 to 1.05900 @ 20.00 °C.
pounds per gallon - calc. : 8.789 to 8.822
refractive index :1.51400 to 1.52000 @ 20.00 °C.
boiling point : 66.00 to 67.00 °C. @ 23.00 mm Hg
flash point : 125.00  °F.  TCC  ( 51.67 °C. )
logP (o/w) : 2.33
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.10 (μg/capita/day)
 
recommendation for 2-methyl 5-(methyl thio) furan fragrance usage levels up to :
 not for fragrance use.
recommendation for 2-methyl 5-(methyl thio) furan flavor usage levels up to :
  50.0000 ppm in the flavor.
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
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
2-methyl-5-methylsulfanylfuran
(EINECS) number :237-170-2
chemidplus :013678596
EPA Substance Registry Services :13678-59-6
references :
 
2-methyl-5-methylsulfanylfuran
fl. number :13.065
jecfa number :1062
NIST Chemistry WebBook :1273954673
pubchem :198046
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-methyl 5-(methylthio) furan
2-methyl-5-(methyl thio) furan
2-methyl-5-(methylthio) furan
2-methyl-5-methyl sulfanyl furan
2-methyl-5-methyl thiofuran
2-methyl-5-methylsulfanylfuran
2-methyl-5-thiomethyl furan
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
2-acetyl-2-thiazolineFL
 allyl disulfideFL
 allyl mercaptanFL
 allyl methyl disulfideFL
 allyl methyl sulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
 allyl sulfideFL
 allyl thiopropionateFL
isoamyl mercaptanFL
 asafetida absoluteFL/FR
 asafetida oilFL/FR
 benzyl mercaptanFL
2,3-butane diolCS
1,3-butane dithiolFL
 butyl mercaptanFL
isobutyl mercaptanFL
 coffee difuranFL
 cyclopentyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 diethyl trisulfideFL
 dimethyl disulfideFL
 dimethyl sulfideFL
 dimethyl trisulfideFL/FR
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl disulfideFL
 dipropyl sulfideFL
 dipropyl trisulfideFL
1,4-dithianeFL
 ethyl 3-(furfuryl thio) propionateFL
 ethyl isothiocyanateFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
S-ethyl thioacetateFL
 ethyl vinyl ketoneFL/FR
 furfuryl acetateFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
2-furyl acetoneFL
 garlic oleoresinFL
 green dioxolaneFR
 heptyl mercaptanFL
(Z)-3-hexen-1-yl tiglateFL/FR
 meaty dithianeFL
1-para-menthene-8-thiolFL/FR
3-mercapto-2-methyl pentanalFL
3-mercapto-2-methyl pentanolFL
3-mercapto-2-pentanoneFL
(R*,S*)-2-mercapto-3-butanolFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl 2-thiofuroateFL
 methyl 3-(methyl thio) propionateFL/FR
 methyl 3-mercaptobutanoateFL
 methyl isothiocyanateFL
 methyl phenyl disulfideFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
2-(methyl thio) acetaldehydeFL
3-(methyl thio) hexanolFL
2-(methyl thio) methyl-2-butenalFL
3-(methyl thio) propanolFL
4-methyl thiobutyl isothiocyanateFL
6-methyl thiohexyl isothiocyanateFL
 methyl thiomethyl butyrateFL
5-methyl thiopentyl isothiocyanateFL
2-methyl-1-butanolFL/FR
bis(2-methyl-3-furyl) disulfideFL
 onion oilFL
 onion oleoresinFL
1-penten-3-olFL/FR
4-pentenyl isothiocyanateFL
2-phenethyl isothiocyanateFL
 propenyl propyl disulfideFL
isopropyl disulfideFL
isopropyl isothiocyanateFL
 propyl mercaptanFL/FR
isopropyl mercaptanFL
 propyl thioacetateFL
 radish isothiocyanateFL
ortho-thiocresolFL
2,3,5-trithiahexaneFL
potential uses :
 coffee
 garlic
 mushroom
 mustard
 onion
natural occurrence in :    note
 coffee  

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