3-methyl-1,2-dithiolane
1,2-dithiolane, 3-methyl-
 
Notes:
None found
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CAS Number: 55487-20-2Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web: J461.709F
XlogP3-AA: 1.50 (est)
Molecular Weight: 120.23776000
Formula: C4 H8 S2
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: information only not used for fragrances or flavors
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 159.00 to  160.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 3.243000 mmHg @ 25.00 °C. (est)
Flash Point: 171.00 °F. TCC ( 77.30 °C. ) (est)
logP (o/w): 2.541 (est)
Soluble in:
 alcohol
 water, 525.9 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Description:
at 0.10 % in dipropylene glycol. 		sulfurous
 
 
Flavor Type: onion
 
 onion  metallic  cooked  beefy  vegetable  beefy roasted beefy  
Taste Description:
onion metallic cooked beef braised vegetable
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for 3-methyl-1,2-dithiolane usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl-1,2-dithiolane flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 525446
National Institute of Allergy and Infectious Diseases: Data
 3-methyldithiolane
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References:
 3-methyldithiolane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 525446
Pubchem (sid): 10541847
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dibutyl sulfideFL/FR
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 ferula assa-foetida gum oilFL/FR
 methyl furfuryl disulfideFL/FR
 propyl mercaptanFL/FR
amber
 angelica root oilFL/FR
chocolate
2,6-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
citrus
 grapefruit mercaptanFL/FR
 methyl heptenoneFL/FR
(E)-2-tetradecenalFL/FR
coffee
 coffee difuranFL/FR
coumarinic
 phthalideFL/FR
earthy
1-octen-3-oneFL/FR
ethereal
 acetalFL/FR
 ethyl pyruvateFL/FR
2-methyl valeraldehydeFL/FR
2-methyl-1-butanolFL/FR
5-methyl-5-hexen-2-oneFL/FR
2-nonenalFL/FR
 octanoic acidFL/FR
(Z)-oleic acidFL/FR
fermented
 ethyl (E)-2-crotonateFL/FR
floral
 geranyl propionateFL/FR
 hexyl nonanoateFL/FR
beta-ocimeneFL/FR
(Z)-rose oxideFL/FR
fruity
2-heptyl butyrateFL/FR
 hexanal propylene glycol acetalFL/FR
 hexyl (E)-tiglateFL/FR
2-pentyl furanFL/FR
 tropical thiazoleFL/FR
 valeriana officinalis root extractFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
 cortex pyridineFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 galbanum decatrieneFL/FR
 geranium thiazoleFL/FR
 green note propionateFL/FR
(Z)-4-hepten-1-olFL/FR
(Z)-3-hepten-1-yl acetateFL/FR
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
 heptyl formateFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-4-hexen-1-olFL/FR
(E)-4-hexen-1-ol 
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexenalFL/FR
3-hexenalFL/FR
4-hexenolFL/FR
 hexyl hexanoateFL/FR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
 nerol oxideFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
2,6-nonadien-1-olFL/FR
 octanal diethyl acetalFL/FR
2-octen-1-olFL/FR
3-octyl formateFL/FR
1-penten-3-olFL/FR
 phenethyl tiglateFL/FR
herbal
 anethum graveolens herb oilFL/FR
3-butylidene phthalideFL/FR
curled parsley seed oilFL/FR
3-propylidene phthalideFL/FR
honey
 phenyl pyruvic acidFL/FR
 meaty dithianeFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
melon
(Z)-6-nonen-1-olFL/FR
(Z)-6-nonenalFL/FR
minty
 carvyl acetateFL/FR
isopropyl tiglateFL/FR
moldy
 strawberry furanone methyl etherFL/FR
musty
 cocoa butenalFL/FR
 hazelnut pyrazineFL/FR
nutty
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2,4,5-trimethyl oxazoleFL/FR
 vinyl sulfurolFL/FR
spicy
 carrot weed oilFL/FR
 cuminaldehydeFL/FR
 myrceneFR
 benzothiazoleFL/FR
 cassis pentanoneFL/FR
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
3,5-dimethyl-1,2-dithiolane 
1,3-dithiolane 
 ethyl methyl mercaptopropionateFL/FR
 ferula assa-foetida absoluteFL/FR
 lychee mercaptan acetateFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
 methyl mercaptanFL/FR
3-(methyl thio) hexanolFL/FR
2-(methyl thio) phenolFL/FR
 onion oilFL/FR
 onion oil dutchFL/FR
 onion oil egyptFL/FR
 onion oil mexicoFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
1-furfuryl pyrroleFL/FR
 mesityl oxideFL/FR
 methionalFL/FR
 tetrahydrofurfuryl alcoholFL/FR
waxy
 methyl octanoateFL/FR
woody
 vetiver oil haitiFL/FR
 
For Flavor
 
No flavor group found for these
(E)-aconitic acidFL
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
 amyl mercaptanFL
 amyl methyl disulfideFL
 benzyl methyl sulfideFL
 butyl ethyl disulfideFL
isobutyl mercaptanFL
2-(2-butyl)-4,5-dimethyl-3-thiazolineFL
 diethyl trisulfideFL
 diisopropyl sulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl sulfideFL
 ethyl methyl trisulfideFL
 ethyl propyl disulfideFL
 ethyl propyl trisulfideFL
2-ethyl-4,5-dimethyl oxazoleFL
3-(2-furoyl thio)-2,5-dimethyl furanFL
2-heptane thiolFL
(Z)-3-hepten-1-yl acetateFL/FR
2-heptyl butyrateFL/FR
 heptyl mercaptanFL
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
1-hexen-3-oneFL
(E)-4-hexenalFL
2-hexenalFL
 hexyl nonanoateFL/FR
4-mercapto-2-butanoneFL
S-methyl benzothioateFL
 methyl butyl sulfideFL
2-methyl thiazoleFL
4-(methyl thio) butanolFL
2-(methyl thio) methyl-2-butenalFL
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-5-methoxythiazoleFL
2-pentyl pyridineFL
 prenyl mercaptanFL
1,1-propane dithiolFL
 propenyl propyl disulfideFL
isopropyl disulfideFL
3-propyl pyridineFL
2-isopropyl pyridineFL
2-isopropyl-3-(methyl thio) pyrazineFL
2,4,6-trimethyl-1,3,5-trithianeFL
2,3,5-trithiahexaneFL
3,5-dimethyl-1,2,4-trithiolaneFL
2,4-dimethyl-3-oxazolineFL
1-(2-thienyl) butanoneFL
alliaceous
 allium porrum extractFL
 allyl disulfideFL
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 dipropyl trisulfideFL
 ferula assa-foetida gum oilFL/FR
 leek oilFL
3-mercapto-2-methyl pentanolFL
3-mercapto-2-pentanoneFL
 methyl 3-mercaptobutanoateFL
2-methyl thioacetaldehydeFL
 onion oil extendersFL
 propyl mercaptanFL/FR
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
 truffle sulfideFL
burnt
2,4,5-trimethyl oxazoleFL/FR
cabbage
 methyl 2-thiofuroateFL
celery
3-butylidene phthalideFL/FR
chemical
2,5-dimethyl furanFL
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
2,4-dimethyl thiazoleFL
 methyl furfuryl disulfideFL/FR
corn chip
2-acetyl-2-thiazolineFL
coumarinic
 phthalideFL/FR
earthy
1-octen-3-oneFL/FR
eggy
isopropyl mercaptanFL
ethereal
2-methyl-1-butanolFL/FR
5-methyl-5-hexen-2-oneFL/FR
fatty
(E,E)-2,4-dodecadienalFL
(E,E)-2,4-heptadienalFL
 heptyl formateFL/FR
2-nonenalFL/FR
2,4-octadien-1-olFL
2-octen-1-olFL/FR
(E)-2-octenoic acidFL
(Z)-oleic acidFL/FR
fried
 crisp enhancersFL
fruity
 ethyl (E)-2-hexenoateFL/FR
2,4-hexadien-1-olFL
 hexanal propylene glycol acetalFL/FR
 hexyl hexanoateFL/FR
 valeriana officinalis root extractFL/FR
fusel
3-methyl-2-butanolFL
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
green
 angelica root oilFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
 carrot weed oilFL/FR
 cassis pentanoneFL/FR
 cocoa butenalFL/FR
 cortex pyridineFL/FR
 dibutyl sulfideFL/FR
 dihydroxyacetophenone (mixed isomers)FL
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum decatrieneFL/FR
 geranium thiazoleFL/FR
 green keyFL
 green note propionateFL/FR
(Z)-4-hepten-1-olFL/FR
(E)-2-heptenalFL
(Z)-4-heptenalFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
 hexanal (aldehyde C-6)FL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
(E)-2-hexenalFL/FR
(E)-3-hexenoic acidFL
 hexyl (E)-tiglateFL/FR
 horseradish oilFL
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptenoneFL/FR
 methyl heptine carbonateFL/FR
 methyl octanoateFL/FR
4-methyl thiazoleFL
3-(5-methyl-2-furyl) butanalFL
 nerol oxideFL/FR
2,6-nonadien-1-olFL/FR
(Z)-6-nonenalFL/FR
beta-ocimeneFL/FR
2,4-octadienalFL
 octanal diethyl acetalFL/FR
4-penten-1-yl acetateFL
1-penten-3-olFL/FR
2-pentyl furanFL/FR
green pepper distillatesFL
 phenethyl tiglateFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
3-propylidene phthalideFL/FR
(Z)-rose oxideFL/FR
herbal
 anethum graveolens herb oilFL/FR
curled parsley seed oilFL/FR
juicy
 lychee mercaptan acetateFL/FR
malty
 yeast thiazolineFL
meaty
 beef enhancersFL
 benzothiazoleFL/FR
2,6-dimethyl pyrazineFL/FR
2,6-dimethyl thiophenolFL
 meaty dithianeFL/FR
 meaty enhancersFL
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
3-mercapto-3-methyl butanolFL
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
bis(2-methyl-3-furyl) disulfideFL
2-methyl-3-tetrahydrofuran thiolFL
2-pyridinyl methane thiolFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
metallic
2,5-dihydroxy-1,4-dithianeFL
4-hexenolFL/FR
3-(methyl thio) hexanolFL/FR
minty
 carvyl acetateFL/FR
moldy
 strawberry furanone methyl etherFL/FR
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
 ethyl (E)-2-crotonateFL/FR
 hazelnut pyrazineFL/FR
2-methyl 5-(methyl thio) furanFL/FR
 propionaldehydeFL
nutty
 acetalFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
 aconitic acidFL
3,5-diethyl-2-methyl pyrazineFL
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 peanut oxazoleFL
 tetrahydrofurfuryl alcoholFL/FR
2,4,5-trimethyl thiazoleFL/FR
 vinyl sulfurolFL/FR
onion
3,5-dimethyl-1,2-dithiolane 
 methionolFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
2-methyl-1,3-dithiolaneFL
 propyl thioacetateFL
phenolic
 phenyl pyruvic acidFL/FR
potato
 mesityl oxideFL/FR
roasted
 ethyl 3-(furfuryl thio) propionateFL
 hexyl mercaptanFL
rummy
 ethyl pyruvateFL/FR
savory
2,4,6-triethyl tetrahydro-1,3,5-dithiazineFL
seafood
1,4-dithianeFL
soapy
 octanoic acidFL/FR
spicy
 cuminaldehydeFL/FR
 habanero distillatesFL
 jalapeno oleoresinFL
sulfurous
 allyl sulfideFL
2,3-butane dithiolFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
1,3-dithiolane 
 ethyl methyl mercaptopropionateFL/FR
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
3-mercapto-2-methyl pentanalFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl benzyl disulfideFL
 methyl ethyl disulfideFL
 methyl mercaptanFL/FR
1-(methyl thio)-2-butanoneFL
 methyl thioacetateFL
 methyl thiomethyl butyrateFL
2-methyl thiopheneFL
3-methyl-2-butane thiolFL
 onion oilFL/FR
 onion oil dutchFL/FR
 onion oil egyptFL/FR
 onion oil mexicoFL/FR
 onion oleoresinFL
 potato butanoneFL
 tropical 3-thiobutyrateFL/FR
tomato
 methionalFL/FR
tropical
3-mercaptohexyl butyrateFL
vegetable
alpha-benzylidene methionalFL
2-sec-butyl-3-methoxypyrazineFL/FR
1-furfuryl pyrroleFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl valeraldehydeFL/FR
 potato butyraldehydeFL
 radish isothiocyanateFL
 tyramineFL
waxy
 geranyl propionateFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(Z)-6-nonen-1-olFL/FR
3-octyl formateFL/FR
(E)-2-tetradecenalFL/FR
 vetiver oil haitiFL/FR
 
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Potential Uses:
 beefFL
 vegetableFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,2-dithiolane, 3-methyl-
3-methyldithiolane
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