1,2-dithiane
tetramethylene disulfide
 
Notes:
None found
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CAS Number: 505-20-4Picture of molecule3D/inchi
Nikkaji Web: J101.092A
Beilstein Number: 102504
XlogP3-AA: 1.40 (est)
Molecular Weight: 120.23776000
Formula: C4 H8 S2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 173.00 to  174.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 1.669000 mmHg @ 25.00 °C. (est)
Flash Point: 206.00 °F. TCC ( 96.90 °C. ) (est)
logP (o/w): 2.532 (est)
Soluble in:
 alcohol, hot
 water, 455.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.01 % solution or less
 
Odor Description:
at 0.01 % in propylene glycol. 
sulfurous
 
 
Flavor Type: garlic
 
 garlic  metallic  sulfurous  
Taste Description:
garlic metallic sulfurous
 
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 1,2-dithiane usage levels up to:
 not for fragrance use.
 
Recommendation for 1,2-dithiane flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 136335
National Institute of Allergy and Infectious Diseases: Data
 dithiane
Chemidplus: 0000505204
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References:
 dithiane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 136335
Pubchem (sid): 135091995
Pherobase: View
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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
CHEBI: View
HMDB (The Human Metabolome Database): Search
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 horseradishFL
 vegetableFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,2-dithiacyclohexane
 dithiane
o-dithiane
ortho-dithiane
 tetramethylene disulfide
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Articles:
PubMed: A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamics.
PubMed: Synthesis of a novel 1,2-dithianenucleoside via Pummerer-like reaction, followed by Vorbruggen glycosylation between a 1,2-dithiane derivative and uracil.
PubMed: Solution phase photolysis of 1,2-dithiane alone and with single-walled carbon nanotubes.
PubMed: Identification of a 2-cys peroxiredoxin as a tetramethyl benzidine-hydrogen peroxide stained protein from the thylakoids of the extreme halophyte Arthrocnemum macrostachyum L.
PubMed: Modulating the endoplasmic reticulum stress response with trans-4,5-dihydroxy-1,2-dithiane prevents chemically induced renal injury in vivo.
PubMed: Endoplasmic reticulum stress due to altered cellular redox status positively regulates murine hepatic CYP2A5 expression.
PubMed: Synthesis, resolution, and determination of the absolute configuration of the enantiomers of cis-4,5-dihydroxy-1,2-dithiane 1,1-dioxide, an HIV-1NCp7 inhibitor.
PubMed: Protection of renal epithelial cells against oxidative injury by endoplasmic reticulum stress preconditioning is mediated by ERK1/2 activation.
PubMed: Effect of ring strain on the thiolate-disulfide exchange. A computational study.
PubMed: Effect of polyamine-induced compaction and aggregation of DNA on the formation of radiation-induced strand breaks: quantitative models for cellular radiation damage.
PubMed: Reduction of trans-4,5-dihydroxy-1,2-dithiane by cellular oxidoreductases activates gadd153/chop and grp78 transcription and induces cellular tolerance in kidney epithelial cells.
PubMed: Endoplasmic reticulum chaperones GRP78 and calreticulin prevent oxidative stress, Ca2+ disturbances, and cell death in renal epithelial cells.
PubMed: Reaction of dithiothreitol and para-nitroacetophenone with different radical precursors of .OH radical-induced strand break formation of single-stranded DNA in anoxic aqueous solution.
PubMed: Thiol-mediated oxidation of nonphenolic lignin model compounds by manganese peroxidase of Phanerochaete chrysosporium.
PubMed: The nonenzymatic oxidation of glutathione in the presence of plasmalike concentrations of disulfides and copper ions.
PubMed: [Thermal decomposition of cysteine, cystine, N-acetylcysteine, 4-thiazolidinecarboxylic acid and cysteine methyl ester in soy bean oil (authors transl)].
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