dimethyl sulfide
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IUPAC Name - methylsulfanylmethane
InChI - InChI=1/C2H6S/c1-3-2/h1-2H3
InChIKey - QMMFVYPAHWMCMS-UHFFFAOYAH
SMILES - CSC
CAS Number : 75-18-3
(EINECS) Number :200-846-2
Beilstein Number :1696847
FEMA Number :2746
COE Number :483
Molar Refractivity :19.31 ± 0.3 cm3 (est)
Parachor :162.3 ± 4.0 cm3 (est)
Index of Refraction :1.425 ± 0.02 (est)
Surface Tension :21.3 ± 3.0 dyne/cm (est)
Density :0.822 ± 0.06 g/cm3 (est)
Polarizability :7.65 ± 0.5 10-24cm3 (est)
XlogP : 1.30 (est)
Molecular Weight : 62.1340400 (IUPAC) (PT) (112)
Formula :C2 H6 S
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavoring agents and cosmetic fragrance agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Methyl sulfide.
Fl@vouring Number : 12.006
FDA Mainterm : METHYL SULFIDE.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
Suppliers :
Advanced Biotech :dimethyl sulfide
98% min. natural
Odor:  Cabbage
Advanced Biotech :dimethyl sulfide
5% min. (in etoh) natural
Odor:  Alcoholic Cabbage
Advanced Biotech :dimethyl sulfide
5% min. (in ethyl acetate) natural
Odor:  Ethereal, Cabbage
Advanced Biotech :dimethyl sulfide
5% min. (in vegetable oil) natural
Odor:  Cabbage
Apple :Dimethyl sulfide
Berje :Dimethyl Sulfide
Berje :Dimethyl Sulfide
Natural
Cargill :DIMETHYL SULPHIDE (EU NAT)
natural, Kosher
Odor:  Cooked Corn
Cargill :DIMETHYL SULPHIDE
Kosher
Odor:  Corn, Slightly Skunk-Like
Fleurchem :dimethyl sulfide
natural
Frutarom :DMS 10% IN DIPROPYLENE GLYCOL
NI, Kosher
Odor:  Cabbage, Potato, Vegetable
Suggested Uses: Coffee, Dairy Products, Savoury, Shellfish, Tomato, Vegetables
Frutarom :METHYL SULPHIDE 'A' GRADE
≥99.50%, NI, Kosher
Odor:  Cabbage, Potato, Vegetable
Suggested Uses: Coffee, Dairy Products, Savoury, Shellfish, Tomato, Vegetables
Frutarom :METHYL SULPHIDE 'A PLUS'
≥99.50%, NI, Kosher
Odor:  Sweetcorn, Vegetable
Suggested Uses: Coffee, Dairy Products, Savoury, Shellfish, Tomato, Vegetables
Frutarom :METHYL SULPHIDE TECHNICAL
≥98.00%, NI, Kosher
Frutarom :NATURAL METHYL SULPHIDE EXTRA
≥99.00%, natural, Kosher
Odor:  Cabbage, Potato, Vegetable
Suggested Uses: Coffee, Dairy Products, Savoury, Shellfish, Tomato, Vegetables
Hofmen :Dimethyl sulfide
IFF :Dimethyl Sulfide
≥99.00%, natural, Kosher
Mooreganics :Dimethyl Sulfide
Natural (Organic Compliant)
Odor:  INTENSE, BOILED CABBAGE, SULFUROUS, ASPARAGUS, DIFFUSIVE, SHARP, GREEN, CABBAGE, OVERRIPE BERRY
Natural Advantage :DIMETHYL SULFIDE
natural US 21 CFR 101.22, Kosher
Flavor:  Clam, corn, tomato
Flavor Use: Vegetable, Cocoa, Coffee, Fish and some Dairy Flavors. Use Level: 0.001-2 ppm as consumed.
Penta :dimethyl sulfide
Penta :dimethyl sulfide
natural
Robertet :DIMETHYL SULFIDE
Pure & Nat (EU)
SAFC Global® :Dimethyl sulfide
≥99%, redistilled, FCC
Odor:  sulfurous; vegetable
SAFC Global® :Dimethyl sulfide
≥99%, natural, FCC, FG
Odor:  sulfurous; vegetable
SAFC Global® :Dimethyl sulfide
redistilled, ≥99%
:
Treatt :Dimethyl sulphide A grade
(raspberry, sweetcorn top-note)
Treatt :Dimethyl sulphide B grade
(savoury, fishy, crabby)
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 onion sweet corn vegetable cabbage tomato green wild radish
Luebke, William tgsc, (1998)
Odor sample from :Sigma-Aldrich Inc.
Odor Description:
at 0.50 %.  		Sulfurous, dimethyl sulfide, creamy, tomato, fishy, scallop, berry fruity and vegetative nuances
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
Taste Description:
at 1.00 ppm.  		Sulfurous, vegetative tomato, corn and asparagus with a dairy creaminess and a slight minty afternote
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
Substantivity :4  Hour(s)
Properties :
Appearence :colorless to pale yellow clear liquid
Assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
Specific Gravity :0.84200 to 0.84700 @ 25.00 °C.
Pounds per Gallon - est. : 7.006 to 7.048
Specific Gravity :0.84000 to 0.85000 @ 20.00 °C.
Pounds per Gallon - est. : 6.998 to 7.081
Refractive Index :1.43100 to 1.44100 @ 20.00 °C.
Melting Point : -98.00 °C. @ 760.00 mm Hg
Boiling Point : 109.00 °C. @ 760.00 mm Hg
Vapor Pressure :502.00000 mm/Hg @ 25.00 °C.
Vapor Density :2.1 ( Air = 1 )
Flash Point : -34.00  °F.  TCC  ( -36.67 °C. )
logP (o/w) : 0.92
Shelf Life : 12.00 month(s) or longer if stored properly.
Storage :store in cool, dry place in tightly sealed containers, protected from heat and light.
Safety :
Most important hazard(s) :Xn - Harmful.
  R 11 - Highly flammable.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 07 - Keep container tightly closed.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 29 - Do not empty into drains.
S 33 - Take precautionary measures against static discharge.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Gavage-Rat    3300.00  mg/kg
(Koptyaev, 1967b)

Gavage-Mouse    3700.00  mg/kg
(Koptyaev, 1967b)

Intraperitoneal-Mouse    8000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Inhalation-Rat  40250.00  ppm
  
Inhalation-Mouse  31620.00  ug/m3
  
 
Safety in Use :
Category :flavoring agents and cosmetic fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :380.00 (μg/capita/day)
Structure Class :I
 
Recommendation for dimethyl sulfide fragrance usage levels up to :
 not for fragrance use.
Recommendation for dimethyl sulfide flavor usage levels up to :
  2.0000 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
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1164
 
WGK Germany :1
 
 
 
 
methylsulfanylmethane
(EINECS) Number :200-846-2
Chemidplus :000075183
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :75-18-3
RTECS :75-18-3
References :
 
methylsulfanylmethane
NIST Chemistry WebBook :782249310
Pubchem :149296
Flavornet :75-18-3
Cosmetics :
Cosmetic Uses : perfuming agents
Other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
Export Tariff Code :2930.90.90
FMA :listed
RIFM :listed
VCF-Online: VCF Volatile Compounds in Food
Synonyms :
 dimethyl monosulfide
 exact-s
 methane thiomethane
 methyl monosulfide
 methyl sulfide
 methyl thioether
 methylsulfanylmethane
2-thiapropane
 thiobis(methane)
 thiobismethane
Soluble in :
 alcohol
 dipropylene glycol
 ethyl ether
 water, 22000 mg/L @ 25C (est)
Insoluble in :
 water
Potential Blenders :    note
 acetoinFL/FR
 acetoin acetateFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
2-acetyl-1-pyrrolineFL
2-acetyl-2-thiazolineFL
 allyl disulfideFL
 allyl mercaptanFL
 allyl methyl disulfideFL
 allyl methyl sulfideFL
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
 allyl sulfideFL
 allyl thiopropionateFL
1-amino-2-propanolCS
 ammonium sulfide 20% in waterFL
 amyl amineFL
isoamyl mercaptanFL
6-amyl-alpha-pyroneFL/FR
 asafetida absoluteFL/FR
 asafetida oilFL/FR
 benzyl mercaptanFL
 benzylidene acetoneFL
2,3-butane diolCS
1,3-butane dithiolFL
 butyl amineFL
(±)-sec-butyl amineFL
isobutyl amineFL
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyl mercaptanFL
2-isobutyl thiazoleFL/FR
 butyric acidFL
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 coconut decanoneFR
 coffee difuranFL
 creamy lactoneFL/FR
 cyclopentyl mercaptanFL
 dairy lactoneFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
6-decenoic acidFL
 diacetylFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 diethyl trisulfideFL
2,5-dihydroxy-1,4-dithianeFL
 dimethyl disulfideFL
ortho-dimethyl hydroquinoneFL/FR
4,5-dimethyl thiazoleFL
 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
delta-2-dodecenolactoneFL/FR
 ethyl 3-(furfuryl thio) propionateFL
 ethyl amineFL
 ethyl methyl mercaptopropionateFL/FR
 ethyl methyl sulfideFL
 ethyl methyl trisulfideFL
 ethyl palmitateFL/FR
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
S-ethyl thioacetateFL
 ethyl undecylenateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
 farnesyl acetoneFL/FR
 fish thiolFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 garlic oleoresinFL
 geranium thiazoleFL/FR
laevo-glutamineCS
 grapefruit mercaptanFL/FR
 heptanal 2,3-butane diol acetalFL
(Z)-4-hepten-1-alFL/FR
(Z)-4-hepten-1-al diethyl acetalFL/FR
(Z)-4-hepten-1-olFL/FR
1-hepten-3-olFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 heptyl mercaptanFL
3-hexen-1-alFL/FR
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
 hexyl amineFL
 levulinic acidFL
(R)-massoia lactoneFL
 meaty dithianeFL
3-mercapto-2-methyl pentanalFL
3-mercapto-2-methyl pentanolFL
3-mercapto-2-pentanoneFL
(R*,S*)-2-mercapto-3-butanolFL
 methionalFL
 methyl (Z)-5-octenoateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl 2-thiofuroateFL
 methyl 3-(methyl thio) propionateFL/FR
 methyl 3-mercaptobutanoateFL
2-methyl 5-(methyl thio) furanFL
2-methyl butyl amineFL
6-methyl coumarinFL
 methyl laurateFL/FR
S-methyl methioninium chloride 
4-methyl octanoic acidFL
2-methyl piperidineFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 methyl thio isovalerateFL
3-(methyl thio) hexanolFL
2-(methyl thio) methyl-2-butenalFL
 methionolFL
2-methyl thioacetaldehydeFL
 methyl thiomethyl butyrateFL
2-methyl-1-butanolFL/FR
bis(2-methyl-3-furyl) disulfideFL
 mint lactoneFL/FR
delta-nonalactoneFL/FR
2-nonanolFL/FR
1-nonen-3-olFL/FR
2,4-octadien-1-olFL
gamma-octalactoneFL/FR
3-octen-2-olFL/FR
 octyl 2-furoateFL
 octyl butyrateFL/FR
 octyl isobutyrateFL/FR
 onion oilFL
 onion oleoresinFL
(E)-2-penten-1-alFL/FR
3-penten-2-oneFL
isopentylidene isopentyl amineFL
 phenethyl amineFL
 potato butanoneFL
 propenyl propyl disulfideFL
 propionyl pyrroline 1% in vegatable oil triglycerideFL
isopropyl amineFL
isopropyl disulfideFL
 propyl mercaptanFL/FR
isopropyl mercaptanFL
 propyl thioacetateFL
 strawberry furanone acetateFL/FR
delta-tetradecalactoneFL/FR
ortho-thiocresolFL
(R)-N,N,alpha-trimethyl benzyl amineFL
 tripropyl amineFL
2,3,5-trithiahexaneFL
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14)FL/FR
 undecanoic acidFL/FR
 vanilla oleoresin baliFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
Potential Uses :
 beerFL
 butterFL
 cabbage 
 cheese swissFL
 cornFL
 currant blackFL
 dairyFL
 fishFL
 fruit 
 garlicFL
 geranium 
 milkFL
 onionFL
 oyster 
 potatoFL
 radish 
 tomatoFL
Natural Occurrence in :    note
 asparagus  
 beer  
 bread wheat bread  
 brussels sprout  
 butter  
 cabbage  
 celery  
 cheese cheddar cheese  
 cheese swiss cheese  
 chicken cooked chicken  
 cocoa  
 corn  
 cream  
 currant black currant S
 durian  
 egg  
 fish  
 geranium  
 kohlrabi  
 lamb cooked lamb  
 onion S
 orange juice  
 paprika  
 parsley  
 peppermint oil S
 rose oil  
 rutabaga  
 sake wine  
 sauerkraut  
 strawberry S
 tobacco virginia tobacco  
 tomato  
 whiskey  
 wine  
data pagewormseed oil america @ 0.01% S


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