(S)-2-methyl butyraldehyde
butanal, 2-methyl-, (2S)-
 
Notes:
Found in tea, coffee, peppermint oil (Mentha piperita)
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CAS Number: 1730-97-8Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web: J51.972C
XlogP3-AA: 1.10 (est)
Molecular Weight: 86.13390000
Formula: C5 H10 O
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 93.52 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 49.317001 mmHg @ 25.00 °C. (est)
Flash Point: 40.00 °F. TCC ( 4.40 °C. ) (est)
logP (o/w): 1.267 (est)
Soluble in:
 water, 1.123e+004 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fruity
 
 fresh  fruity  cocoa  coffee  
Odor Description:
at 10.00 % in propylene glycol. 
fresh fruity cocoa coffee
 
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 (S)-2-methyl butyraldehyde usage levels up to:
 not for fragrance use.
 
Recommendation for (S)-2-methyl butyraldehyde 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 : 6971249
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 (2S)-2-methylbutanal
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References:
Leffingwell: Chirality or Article
 (2S)-2-methylbutanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6971249
Pubchem (sid): 8000139
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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): HMDB31525
FooDB: FDB008128
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
 coffee
Search  PMC Picture
 peppermint oil
Search Trop  Picture
 tea
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Synonyms:
 butanal, 2-methyl-, (2S)-
(S)-(+)-2-methyl butanal
(S)-2-methyl butanal
(2S)-2-methylbutanal
(S)-2-methylbutanal
(S)-2-methylbutyraldehyde
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