EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3,5-diisobutyl-1,2,4-trithiolane
3,5-bis(2-methyl propyl)-1,2,4-trithiolane

Sponsors

CAS Number: 92900-67-9Picture of molecule3D/inchi
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
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents: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)-
 
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
 
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
Flavor Type: roasted
">roasted bacon meaty meaty roasted meaty
Taste Description: roasted, roasted nut, crisp bacon-like and pork rind-like
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,5-Diisobutyl-1,2,4-trithiolane 95%
Carbosynth
For experimental / research use only.
3,5-Diisobutyl-1,2,4-trithiolane
Treatt
3,5-Di-isobutyl-1,2,4-trithiolane
 
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
 
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
 
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
 
References:
 3,5-bis(2-methylpropyl)-1,2,4-trithiolane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):21773712
Pubchem (sid):131330525
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
methyl furfuryl disulfide
FL/FR
caramellic
iso
propenyl pyrazine
FL/FR
strawberry furanone
FL/FR
chocolate
2,5-
dimethyl pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
fresh
10-
undecen-1-yl acetate
FL/FR
fruity
3-
mercaptohexyl acetate
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
prunus amygdalus amara seed extract
FL/FR
(E)-2-
undecenal
FL/FR
green
2-
heptyl furan
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
meaty
meaty dithiane
FL/FR
sulfurol
FL/FR
sulfuryl acetate
FL/FR
moldy
strawberry furanone methyl ether
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
2,6-
lutidine
FL/FR
methoxymethyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
nutty quinoxaline
FL/FR
sesame absolute
FL/FR
phenolic
2,5-
xylenol
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
smoky
2,6-
dimethoxyphenol
FL/FR
pyroligneous acids
FL/FR
spicy
4-
ethyl guaiacol
FL/FR
sulfurous
benzothiazole
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
methyl mercaptan
FL/FR
2-(
methyl thio) phenol
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-2-pyrroline
FL
1,2-
butane dithiol
FL
6,7-
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl pyrazine and 2,6-dimethyl pyrazine mixture
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
methyl 2-(methyl thio) acetate
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
pyrazines mixture
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
2-
methyl-1-methyl thio-2-butene
FL
3-
methyl-1,2,4-trithiane
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
garlic oil extenders
FL
3-
mercapto-2-pentanone
FL
3-
tetrahydrothiophenone
FL
bacon
bacon reaction crispy
FL
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
iso
propenyl pyrazine
FL/FR
caramellic
strawberry furanone
FL/FR
chemical
2,5-
dimethyl furan
FL
coffee
coffee difuran
FL/FR
2-
ethyl-4-methyl thiazole
FL/FR
furfuryl mercaptan
FL/FR
methyl furfuryl disulfide
FL/FR
methyl furfuryl mercaptopropionate
FL
methyl furfuryl thiol
FL
earthy
(±)-2-
mercapto-5-methylheptan-4-one
FL
1,8-
octane dithiol
FL
2-
thienyl disulfide
FL
fatty
pork
fat extract
FL
2-
heptyl furan
FL/FR
(E)-7-
methyl-3-octen-2-one
FL/FR
fishy
4,5-
dimethyl thiazole
FL
fruity
2-
ethyl-2,5-dihydro-4-methyl thiazole
FL
greasy
10-
undecen-1-yl acetate
FL/FR
green
4-
methyl thiazole
FL
(E,Z)-2,6-
nonadienal
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
bacon flavor
FL
beef broth flavor
FL
beef flavor
FL
roast
beef flavor
FL
BBQ
beef flavor
FL
beef flavor base
FL
benzothiazole
FL/FR
chicken bone extract
FL
chicken extract
FL
chicken flavor
FL
grilled
chicken flavor
FL
chicken key
FL
2,6-
dimethyl thiophenol
FL
2,5-
dimethyl-3-furan thiol
FL
2',3-
dimethyl-3',4-dioxa-2,8-dithiabicyclo(3.3.0)octane spirocyclopentane
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
ethyl 2-hydroxyethyl sulfide
FL
furfuryl 2-methyl-3-furyl disulfide
FL
4-
furfuryl thio-2-pentanone
FL
ham enhancers
FL
ham flavor
FL
hot dog flavor
FL
lamb flavor
FL
liver flavor
FL
meat broth concentrates
FL
meat flavors
FL
meaty dithiane
FL/FR
meaty enhancers
FL
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
2-
methyl 3-(methyl thio) furan
FL
2-(
methyl thio) phenol
FL/FR
methyl thiofuryl butanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
phenyl mercaptan
FL
pork flavor
FL
roasted
pork flavor
FL
grilled
pork flavor
FL
propyl 2-mercaptopropionate
FL
pyrazinyl ethane thiol
FL
2-
pyridinyl methane thiol
FL
rabbit flavor
FL
grilled
steak flavor
FL
sulfurol
FL/FR
sulfuryl acetate
FL/FR
thialdine
FL
ortho-
thiocresol
FL
ortho-
thioguaiacol
FL
turkey flavor
FL
smoked
turkey flavor
FL
roast
turkey flavor
FL
veal flavor
FL
venison flavor
FL
medicinal
2,6-
dimethoxyphenol
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
moldy
strawberry furanone methyl ether
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
2-
ethoxythiazole
FL
2,5-
xylenol
FL/FR
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2-
acetyl-4-methyl thiazole
FL
arachis hypogaea fruit extract
FL
3,6-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
1-
ethyl-2-acetyl pyrrole
FL
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
2,6-
lutidine
FL/FR
methoxymethyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
nutty thiazole
FL
prunus amygdalus amara seed extract
FL/FR
sesame absolute
FL/FR
phenolic
2-
ethyl benzene thiol
FL
roasted
furfuryl thioacetate
FL/FR
hexyl mercaptan
FL
trigonella foenum-graecum seed oil CO2 extract
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
smoky
prosopis juliflora wood extract
FL
pyroligneous acids
FL/FR
spicy
hot spicy
beef flavor
FL
sulfurous
2,3-
butane dithiol
FL
butyl mercaptan
FL
fish thiol
FL/FR
furfuryl thiopropionate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl mercaptan
FL/FR
3-
methyl-2-butane thiol
FL
2-
naphthyl mercaptan
FL
3-
pentane thiol
FL
roasted butanol
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
tropical
3-
mercaptohexyl acetate
FL/FR
waxy
(E)-2-
undecenal
FL/FR
woody
4-
ethyl guaiacol
FL/FR
yeasty
faex extracts
FL
 
Potential Uses:
FLbacon
FLmeat
 
Occurrence (nature, food, other):note
 chicken fried chicken
Search PMC Picture
 
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)-
 
 
Notes:
None found
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