3-mercapto-3-methyl butanal
butanal, 3-mercapto-3-methyl-
 
Notes:
None found
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CAS Number: 308805-43-8Picture of molecule3D/inchi
FDA UNII: CNZ006442E
Nikkaji Web: J1.843.507A
XlogP3-AA: 0.60 (est)
Molecular Weight: 118.19890000
Formula: C5 H10 O S
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 159.00 to  161.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.264000 mmHg @ 25.00 °C. (est)
Flash Point: 124.00 °F. TCC ( 51.11 °C. )
logP (o/w): 1.221 (est)
Soluble in:
 alcohol
 water, 1.083e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: cheesy
 
 brothy  cheesy  
Odor Description:
at 0.10 % in propylene glycol. 
brothy cheese
 
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: natural substances and extractives
Recommendation for 3-mercapto-3-methyl butanal usage levels up to:
 not for fragrance use.
 
Recommendation for 3-mercapto-3-methyl butanal flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 527441
National Institute of Allergy and Infectious Diseases: Data
 3-methyl-3-sulfanylbutanal
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References:
 3-methyl-3-sulfanylbutanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 527441
Pubchem (sid): 10544251
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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
VCF-Online: VCF Volatile Compounds in Food
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
 cheese cheddar cheese
Search  PMC Picture
 wine
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Synonyms:
 butanal, 3-mercapto-3-methyl-
3-mercapto-3-methylbutanal
3-methyl-3-sulfanyl butanal
3-methyl-3-sulfanylbutanal
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