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

1,3,5-trithiane
formaldehyde, thio-, trimer

Supplier Sponsors

Name:1,3,5-trithiane
CAS Number: 291-21-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:206-029-7
FDA UNII: Search
Nikkaji Web:J2.570D
Beilstein Number:0079834
MDL:MFCD00006653
XlogP3-AA:2.20 (est)
Molecular Weight:138.27582000
Formula:C3 H6 S3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 213.00 to 217.00 °C. @ 760.00 mm Hg
Boiling Point: 230.00 to 231.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.098000 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.40 °C. ) (est)
logP (o/w): 1.939 (est)
Soluble in:
 water, 302.7 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Endeavour Specialty Chemicals
1,3,5-Trithiane
Speciality Chemical Product Groups
Robinson Brothers
1,3,5-Trithiane
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
1,3,5-Trithiane
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,3,5-Trithiane 97%
TCI AMERICA
For experimental / research use only.
1,3,5-Trithiane >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
intraperitoneal-mouse LD50 250 mg/kg
National Technical Information Service. Vol. AD691-490

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 1,3,5-trithiane usage levels up to:
 not for fragrance use.
 
Recommendation for 1,3,5-trithiane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):291-21-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :9264
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,3,5-trithiane
Chemidplus:0000291214
RTECS:YL8225000 for cas# 291-21-4
 
References:
 1,3,5-trithiane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):9264
Pubchem (sid):134974631
Pherobase:View
 
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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB36573
FooDB:FDB015481
Export Tariff Code:2934.99.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 durian fruit
Search Trop Picture
 garlic
Search Trop Picture
 parkia speciosa
Search Trop Picture
 
Synonyms:
 formaldehyde, thio-, trimer
 thioform
 thioformaldehyde trimer
 trimethylene trisulfide
1,3,5-trithiacyclohexane
1,3,5-trithian
s-trithiane
 trithioformaldehyde
 

Articles:

PubMed:Headspace constituents of Parkia speciosa seeds.
PubMed:Modified Mesoporous Silica (SBA-15) with Trithiane as a new effective adsorbent for mercury ions removal from aqueous environment.
PubMed:A study of donor-acceptor in the charge transfer molecular complexes of some thiacrown ethers with dihalogen molecules by DFT method.
PubMed:Indenyl ring slippage in crown thioether complexes [IndMo(CO)2L]+ and C-S activation of trithiacyclononane: experimental and theoretical studies.
PubMed:Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane.
PubMed:Ruminal fermentation of propylene glycol and glycerol.
PubMed:Transients in the oxidative and H-atom-induced degradation of 1,3,5-trithiane. Time-resolved studies in aqueous solution.
PubMed:The dimer, trimer and 1,2,4-trithiolane of adamantanethione.
PubMed:Headspace constituents of Parkia speciosa seeds.
PubMed:Calorimetric and computational study of 1,3,5-trithiane.
PubMed:Rigorous interpretation of electronic density functions of axial and equatorial conformers of dimethylphosphinoylcyclohexane, 2-(dimethylphosphinoyl)-1,3,5-trithiane, and 2-(dimethylphosphinoyl)-1,3-dithiane-1,1,3,3-tetraoxide.
 
Notes:
Isol. from various marine organisms; and as a food flavour component Trithiane is a building block molecule in organic synthesis, being a masked source of formaldehyde. In one application, it is deprotonated with organolithium reagents to give the lithium derivative, which in turn can be alkylated.
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