2,4,6-trimethyl-1,3,5-trithiane
1,3,5-trithiane, 2,4,6-trimethyl-
 
Notes:
Modifier for blackcurrant flavour
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      Product(s):
      23769-39-3 (2a,4a,6a-2,4,6-trimethyl-1,3,5-trithiane 95%
       
  • CSA
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CAS Number: 23769-39-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 245-870-4
FDA UNII: K8GLL4NEZI
Nikkaji Web: J242.673K
XlogP3-AA: 3.50 (est)
Molecular Weight: 180.35664000
Formula: C6 H12 S3
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 100.00 to  102.00 °C. @ 760.00 mm Hg
Boiling Point: 245.00 to  247.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.040000 mmHg @ 25.00 °C. (est)
Flash Point: 217.00 °F. TCC ( 102.60 °C. ) (est)
logP (o/w): 3.546 (est)
Soluble in:
 water, 16.6 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.01 % solution or less
 
 sulfurous  onion green onion  onion  
Odor Description:
at 0.01 % in propylene glycol. 
sulfurous green onion
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
(2a,4a,6a-2,4,6-trimethyl-1,3,5-trithiane 95%
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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 2,4,6-trimethyl-1,3,5-trithiane usage levels up to:
 not for fragrance use.
 
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 17696
National Institute of Allergy and Infectious Diseases: Data
 2,4,6-trimethyl-1,3,5-trithiane
Chemidplus: 0002765040
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References:
 2,4,6-trimethyl-1,3,5-trithiane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 17696
Pubchem (sid): 134982434
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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): HMDB31671
FooDB: FDB008331
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
 dipropyl disulfideFL/FR
 ferula assa-foetida gum oilFL/FR
 propyl mercaptanFL/FR
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
meaty
 meaty dithianeFL/FR
roasted
2-methyl-1-butanolFL/FR
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 ferula assa-foetida absoluteFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
3-(methyl thio) hexanolFL/FR
 onion oilFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl disulfideFL
 allyl propyl sulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
 diethyl trisulfideFL
(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
 heptyl mercaptanFL
2-(methyl thio) methyl-2-butenalFL
2-methyl-1-butanolFL/FR
 propenyl propyl disulfideFL
isopropyl disulfideFL
2,3,5-trithiahexaneFL
alliaceous
 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
3-mercapto-2-methyl pentanolFL
3-mercapto-2-pentanoneFL
 methyl 3-mercaptobutanoateFL
2-methyl thioacetaldehydeFL
 propyl mercaptanFL/FR
cabbage
 methyl 2-thiofuroateFL
citrus
 grapefruit mercaptanFL/FR
coffee
 coffee difuranFL/FR
corn chip
2-acetyl-2-thiazolineFL
eggy
isopropyl mercaptanFL
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
meaty
 meaty dithianeFL/FR
(R,S)-2-mercapto-3-butanolFL
bis(2-methyl-3-furyl) disulfideFL
ortho-thiocresolFL
metallic
3-(methyl thio) hexanolFL/FR
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methionolFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
seafood
1,4-dithianeFL
sulfurous
 allyl sulfideFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
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 thiomethyl butyrateFL
 onion oilFL/FR
 onion oleoresinFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
 
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Potential Uses:
 currant black currantFL
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Occurrence (nature, food, other): note
 chicken fried chicken
Search  PMC Picture
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Synonyms:
(2a,4a,6a)-2,4,6-trimethyl-1,3,5-trithiane
(2alpha,4alpha,6alpha)-2,4,6-trimethyl-1,3,5-trithiane
1,3,5-trithiane, 2,4,6-trimethyl-
s-trithiane, 2,4,6-trimethyl-
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