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methyl thioacetaldehyde dimethyl acetal
ethane, 1,1-dimethoxy-2-(methylthio)-

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Name:1,1-dimethoxy-2-methylsulfanylethane
CAS Number: 40015-15-4Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J1.320.744E
MDL:MFCD00009848
XlogP3-AA:0.70 (est)
Molecular Weight:136.21404000
Formula:C5 H12 O2 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.02000 to 1.02400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.497 to 8.531
Refractive Index:1.45200 to 1.45600 @ 20.00 °C.
Boiling Point: 169.00 to 170.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:2.008000 mmHg @ 25.00 °C. (est)
Flash Point: 134.00 °F. TCC ( 56.50 °C. ) (est)
logP (o/w): 1.146 (est)
Soluble in:
 alcohol
 water, 4.726e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
(Methylthio)acetaldehyde Dimethyl Acetal
DeLong Chemicals America
2-Methylthioacetaldehyde dimethyl acetal
Santa Cruz Biotechnology
For experimental / research use only.
(Methylthio)acetaldehyde Dimethyl Acetal
Sigma-Aldrich: Aldrich
For experimental / research use only.
(Methylthio)acetaldehyde dimethyl acetal 97%
TCI AMERICA
For experimental / research use only.
(Methylthio)acetaldehyde Dimethyl Acetal >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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for methyl thioacetaldehyde dimethyl acetal usage levels up to:
 not for fragrance use.
 
 
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 :638113
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,1-dimethoxy-2-methylsulfanylethane
 
References:
 1,1-dimethoxy-2-methylsulfanylethane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):638113
Pubchem (sid):12053185
 
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
Export Tariff Code:2930.90.9190
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1,1-dimethoxy-2-(methylsulfanyl)ethane
1,1-dimethoxy-2-(methylthio)ethane
1,1-dimethoxy-2-methylsulfanylethane
 ethane, 1,1-dimethoxy-2-(methylthio)-
(methyl thio) acetaldehyde dimethyl acetal
(methylmercapto)acetaldehyde dimethyl acetal
2-(methylthio) acetaldehyde dimethyl acetal
(methylthio)acetaldehyde dimethyl acetal
 methylthioacetaldehyde dimethyl acetal
 
 
Notes:
None found
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