ethyl methyl sulfide
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IUPAC name :methylsulfanylethane
InChI :InChI=1/C3H8S/c1-3-4-2/h3H2,1-2H3
InChIKey :WXEHBUMAEPOYKP-UHFFFAOYAC
SMILES :CCSC
cas number :624-89-5
(EINECS) number :210-868-4
beilstein number :1696871
fema number :3860
coe number :11474
jecfa number :453
fl. number :12.154
molar refractivity :23.94 ± 0.3 cm3
parachor :202.1 ± 4.0 cm3
index of refraction :1.433 ± 0.02
surface tension :23.2 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :9.49 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 76.1606200 (IUPAC)
formula :C3 H8 S
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Endeavour :Ethyl methyl sulphide
98%
Hofmen :Methyl ethyl sulfide
SAFC Global® :Ethyl methyl sulfide
96%
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		sulfury garlic tomato coffee pyridene cabbage
odor description:
at 0.10 %.  		Sulfurous, tomato and cabbage vegetative with dimethyl sulfide, meaty and metallic nuances
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
taste description:
at 0.25 - 2.00 ppm.  		Sulfurous, vegetative, dimethyl sulfide-like sweet corn notes, eggy, meaty and clam nuances
Mosciano, Gerard P&F 25, No. 3, 25, (2000)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84200 to 0.84700 @ 25.00 °C.
pounds per gallon - calc. : 7.006 to 7.048
refractive index :1.38900 to 1.39900 @ 20.00 °C.
melting point :-106.00 °C. @ 760.00 mm Hg
boiling point : 66.00 to 67.00 °C. @ 760.00 mm Hg
vapor pressure :160.00000 mm/Hg @ 25.00 °C.
flash point : 5.00  °F.  TCC  ( -15.00 °C. )
logP (o/w) : 1.54
safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 38 - Irritating to 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 33 - Take precautionary measures against static discharge.
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) :ND (μg/capita/day)
 
recommendation for ethyl methyl sulfide fragrance usage levels up to :
 not for fragrance use.
recommendation for ethyl methyl sulfide flavor usage levels up to :
  1.0000 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
 
 
 
 
methylsulfanylethane
(EINECS) number :210-868-4
chemidplus :000624895
EPA Substance Registry Services :624-89-5
references :
 
methylsulfanylethane
fl. number :12.154
jecfa number :453
NIST Chemistry WebBook :1487030035
pubchem :155551
Flavornet :624-89-5
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 ethyl methyl thioether
 methyl ethyl sulfide
1-(methyl thio) ethane
 methyl thioethane
 methylsulfanylethane
2-thiabutane
soluble in :
 alcohol
 oils
 water, 6430 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
2-acetyl furanFL/FR
2-acetyl pyrazineFL/FR
 benzothiazoleFL
 benzyl mercaptanFL
 butyl mercaptanFL
2-isobutyl thiazoleFL/FR
 caramel furanoneFL
 caramel furanone 3% in pgFL/FR
 cocoa pyrazineFL/FR
 coffee difuranFL
 coffee dioneFL/FR
 coffee pyrazineFL
 dicyclohexyl disulfideFL
 difurfuryl etherFL
 difurfuryl sulfideFL
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
 dimethyl disulfideFL
2,3-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
 dimethyl sulfideFL
2,4-dimethyl thiazoleFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,5-dimethyl-3-thiofuroyl furanFL
 ethyl 3-(furfuryl thio) propionateFL
 ethyl methyl mercaptopropionateFL/FR
S-ethyl thioacetateFL
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
 filbert heptenoneFL/FR
 furfuryl alcoholFL
 furfuryl isopropyl sulfideFL
 furfuryl mercaptanFL/FR
 furfuryl methyl etherFL
 furfuryl propionateFL
1-furfuryl pyrroleFL/FR
 furfuryl thioacetateFL
S-furfuryl thioformateFL
 furfuryl thiopropionateFL
 geranium thiazoleFL/FR
1-hepten-3-olFL/FR
3-hexen-1-alFL/FR
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
1-hydroxy-2-butanoneFL/FR
 menthofuranFL/FR
 mercaptoacetaldehydeFL
 methionalFL
 methionyl butyrateFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
 methyl 3-(methyl thio) propionateFL/FR
 methyl 4-(methyl thio) butyrateFL
2-methyl 5-(methyl thio) furanFL
 methyl benzyl disulfideFL
2-methyl butyraldehydeFL
 methyl cyclopentenoloneFL/FR
 methyl furfuryl disulfideFL
 methyl mercaptanFL
S-methyl methioninium chloride 
 methyl propyl disulfideFL
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
4-(methyl thio) butanolFL
S-(methyl thio) butyrateFL
2-(methyl thio) methyl-2-butenalFL
4-methyl thiobutyl isothiocyanateFL
 methyl thiol isovalerateFL
5-methyl thiopentyl isothiocyanateFL
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-5-isopropyl pyrazineFL
2-methyl-5-methoxythiazoleFL
(E)-2-penten-1-alFL/FR
 potato butanoneFL
isopropyl disulfideFL
 propyl mercaptanFL/FR
 pyrazinyl ethane thiolFL
 tetrahydrothiopheneFL
2,3,5,6-tetramethyl pyrazineFL
2-thienyl mercaptanFL
2-thiophene thiolFL
2,4,5-trimethyl thiazoleFL/FR
S-tropical 2-thiobutyrateFL
2,6-xylenolFR
potential uses :
 cabbage
 clam
 coffee
 corn sweet corn
 garlic
 meat
 onion
 potato
 shellfish
natural occurrence in :    note
 beef boiled beef  
 chicken cooked chicken  
 cocoa S
 coffee  
 pork  
 rum  
 tomato  
 whiskey  

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