4-methyl-1,3-dithiolane
1,3-dithiolane, 4-methyl-
 
Notes:
None found
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CAS Number: 50363-43-4Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web: J91.175E
Beilstein Number: 1361434
XlogP3-AA: 1.80 (est)
Molecular Weight: 120.23776000
Formula: C4 H8 S2
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: information only not used for fragrances or flavors
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 174.00 to  175.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 1.578000 mmHg @ 25.00 °C. (est)
Flash Point: 144.00 °F. TCC ( 62.40 °C. ) (est)
logP (o/w): 1.090 (est)
Soluble in:
 alcohol
 water, 1600 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
 sulfurous  alliaceous  tomato  
Odor Description:
at 0.01 % in propylene glycol. 
sulfurous alliaceous tomato
 
 
Flavor Type: onion
 
 onion  rooty  vegetable  meaty roasted meaty  
Taste Description:
onion rooty vegetable
 
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:
intraperitoneal-mouse LD50  1000 mg/kg
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

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 4-methyl-1,3-dithiolane usage levels up to:
 not for fragrance use.
 
Recommendation for 4-methyl-1,3-dithiolane 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 : 39655
National Institute of Allergy and Infectious Diseases: Data
 4-methyl-1,3-dithiolane
Chemidplus: 0050363434
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References:
 4-methyl-1,3-dithiolane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 39655
Pubchem (sid): 135000886
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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
1,3-dithiolane, 4-methyl-
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