3,5-diisobutyl-1,2,4-trithiolane
3,5-bis(2-methyl propyl)-1,2,4-trithiolane
 
Notes:
None found
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      3,5-Di-isobutyl-1,2,4-trithiolane
       
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3,5-bis(2-methylpropyl)-1,2,4-trithiolane (Click)
CAS Number: 92900-67-9Picture of molecule
MDL: MFCD10000648
Molecular Weight: 236.46440000
Formula: C10 H20 S3
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: CASrn in Register refers to the racemate. Mixture of isomers ((R/R), (R/S), (S/R) & (S/S) at equal ratio, i.e. 25 % of each) (EFFA, 2010a).
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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Pubchem Patents: Search
Flavis Number: 15.047 (Old)

15.047 (Old)

15.047 (Old)
DG SANTE Food Flavourings: 15.047  3,5-di-(2-methylpropyl)-1,2,4-trithiolane

15.047  3,5-diisobutyl-1,2,4-trithiolane

15.047  1,2,4-trithiolane, 3,5-bis(2-methylpropyl)-
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 156.00 °C. @ 760.00 mm Hg
Boiling Point: 314.00 to  316.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 295.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 281.00 °F. TCC ( 138.33 °C. )
logP (o/w): 5.130
Soluble in:
 alcohol
 water, 1.534 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: roasted
Odor Strength: high ,
recommend smelling in a 0.01 % solution or less
 roasted  nutty  bacon  
Odor Description:
at 0.01 % in propylene glycol. 
roasted, roasted nut, crisp bacon-like and pork rind-like
 roasted  bacon  meaty  meaty roasted meaty  
Taste Description:
roasted, roasted nut, crisp bacon-like and pork rind-like
  
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
3,5-Diisobutyl-1,2,4-trithiolane
Treatt
3,5-Di-isobutyl-1,2,4-trithiolane
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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: flavoring agents
Recommendation for 3,5-diisobutyl-1,2,4-trithiolane usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 46 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf
Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf
Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf
Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 21773712
National Institute of Allergy and Infectious Diseases: Data
 3,5-bis(2-methylpropyl)-1,2,4-trithiolane
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References:
 3,5-bis(2-methylpropyl)-1,2,4-trithiolane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 21773712
Pubchem (sid): 131330525
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 methyl furfuryl disulfideFL/FR
isopropenyl pyrazineFL/FR
 strawberry furanoneFL/FR
chocolate
2,6-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
coffee
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
fresh
10-undecen-1-yl acetateFL/FR
fruity
3-mercaptohexyl acetateFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
 prunus amygdalus amara seed extractFL/FR
(E)-2-undecenalFL/FR
green
2-heptyl furanFL/FR
(E,Z)-2,6-nonadienalFL/FR
 meaty dithianeFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 strawberry furanone methyl etherFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
2,6-lutidineFL/FR
 methoxymethyl pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
 nutty quinoxalineFL/FR
 sesame absoluteFL/FR
phenolic
2,5-xylenolFL/FR
 trigonella foenum-graecum seed oil CO2 extractFL/FR
smoky
2,6-dimethoxyphenolFL/FR
 pyroligneous acidsFL/FR
spicy
4-ethyl guaiacolFL/FR
 benzothiazoleFL/FR
 fish thiolFL/FR
 furfuryl thioacetateFL/FR
2-mercaptopropionic acidFL/FR
 methyl mercaptanFL/FR
2-(methyl thio) phenolFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrrolineFL
2-acetyl-3-methyl pyrazineFL/FR
1,2-butane dithiolFL
6,7-dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl pyrazine and 2,6-dimethyl pyrazine mixtureFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
 methyl 2-(methyl thio) acetateFL
2-(methyl thio) methyl-2-butenalFL
2-methyl-3-(methyl thio) pyrazineFL/FR
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
 pyrazines mixtureFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2-methyl-1-methyl thio-2-buteneFL
3-methyl-1,2,4-trithianeFL
alliaceous
 allyl disulfideFL
 allyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 dimethyl trisulfideFL/FR
 garlic oil extendersFL
3-mercapto-2-pentanoneFL
3-tetrahydrothiophenoneFL
bacon
 bacon reaction crispyFL
burnt
 bacon dithiazineFL
1,6-hexane dithiolFL
isopropenyl pyrazineFL/FR
caramellic
 strawberry furanoneFL/FR
chemical
2,5-dimethyl furanFL
coffee
 coffee difuranFL/FR
2-ethyl-4-methyl thiazoleFL/FR
 furfuryl mercaptanFL/FR
 methyl furfuryl disulfideFL/FR
 methyl furfuryl mercaptopropionateFL
 methyl furfuryl thiolFL
earthy
(±)-2-mercapto-5-methylheptan-4-oneFL
1,8-octane dithiolFL
2-thienyl disulfideFL
fatty
pork fat extractFL
2-heptyl furanFL/FR
(E)-7-methyl-3-octen-2-oneFL/FR
fishy
4,5-dimethyl thiazoleFL
fruity
2-ethyl-2,5-dihydro-4-methyl thiazoleFL
greasy
10-undecen-1-yl acetateFL/FR
green
4-methyl thiazoleFL
(E,Z)-2,6-nonadienalFL/FR
meaty
4-allyl-2,6-dimethoxyphenolFL
 bacon flavorFL
 beef broth flavorFL
 beef flavorFL
roast beef flavorFL
BBQ beef flavorFL
 beef flavor baseFL
 benzothiazoleFL/FR
 chicken bone extractFL
 chicken extractFL
grilled chicken flavorFL
 chicken flavorFL
 chicken keyFL
2,6-dimethyl thiophenolFL
2,5-dimethyl-3-furan thiolFL
2',3-dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentaneFL
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%FL
 ethyl 2-hydroxyethyl sulfideFL
 furfuryl 2-methyl-3-furyl disulfideFL
4-furfuryl thio-2-pentanoneFL
 ham enhancersFL
 ham flavorFL
 hot dog flavorFL
 lamb flavorFL
 liver flavorFL
 meat broth concentratesFL
 meat flavorsFL
 meaty dithianeFL/FR
 meaty enhancersFL
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
3-mercapto-3-methyl butanolFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
2-(methyl thio) phenolFL/FR
 methyl thiofuryl butanalFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
2-methyl-3-thioacetoxytetrahydrofuranFL
 phenyl mercaptanFL
grilled pork flavorFL
roasted pork flavorFL
 pork flavorFL
 propyl 2-mercaptopropionateFL
 pyrazinyl ethane thiolFL
2-pyridinyl methane thiolFL
 rabbit flavorFL
grilled steak flavorFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
ortho-thiocresolFL
ortho-thioguaiacolFL
smoked turkey flavorFL
 turkey flavorFL
roast turkey flavorFL
 veal flavorFL
 venison flavorFL
medicinal
2,6-dimethoxyphenolFL/FR
metallic
2,5-dihydroxy-1,4-dithianeFL
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
 strawberry furanone methyl etherFL/FR
2,5-xylenolFL/FR
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2-acetyl-4-methyl thiazoleFL
 arachis hypogaea fruit extractFL
3,6-cocoa pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
2,6-lutidineFL/FR
 methoxymethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 prunus amygdalus amara seed extractFL/FR
 sesame absoluteFL/FR
phenolic
2-ethyl benzene thiolFL
roasted
 furfuryl thioacetateFL/FR
 hexyl mercaptanFL
 trigonella foenum-graecum seed oil CO2 extractFL/FR
savory
2,4,6-triethyl tetrahydro-1,3,5-dithiazineFL
smoky
 prosopis juliflora wood extractFL
 pyroligneous acidsFL/FR
spicy
hot spicy beef flavorFL
sulfurous
2,3-butane dithiolFL
 butyl mercaptanFL
 fish thiolFL/FR
 furfuryl thiopropionateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl mercaptanFL/FR
3-methyl-2-butane thiolFL
2-naphthyl mercaptanFL
3-pentane thiolFL
 roasted butanolFL
2,4,6-trithiaheptane 10% in triacetinFL
tropical
3-mercaptohexyl acetateFL/FR
waxy
(E)-2-undecenalFL/FR
woody
4-ethyl guaiacolFL/FR
yeasty
 faex extractsFL
 
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Potential Uses:
 baconFL
 meat 
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Occurrence (nature, food, other): note
 chicken fried chicken
Search  Picture
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Synonyms:
3,5-di-(2-methylpropyl)-1,2,4-trithiolane
3,5-bis(2-methyl propyl)-1,2,4-trithiolane
3,5-bis(2-methylpropyl)-1,2,4-trithiolane
1,2,4-trithiolane, 3,5-bis(2-methylpropyl)-
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