3-methyl valeraldehyde
valeraldehyde, 3-methyl-
 
Notes:
None found
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CAS Number: 15877-57-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 240-014-6
FDA UNII: Search
Nikkaji Web: J219.881I
XlogP3-AA: 1.50 (est)
Molecular Weight: 100.16084000
Formula: C6 H12 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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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: 121.00 °C. @ 760.00 mm Hg
Vapor Pressure: 13.594000 mmHg @ 25.00 °C. (est)
Flash Point: 64.00 °F. TCC ( 17.80 °C. ) (est)
logP (o/w): 1.777 (est)
Soluble in:
 alcohol
 water, 3930 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
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-methyl valeraldehyde usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methyl valeraldehyde 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 : 27523
National Institute of Allergy and Infectious Diseases: Data
 3-methylpentanal
Chemidplus: 0015877573
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References:
Leffingwell: Chirality or Article
 3-methylpentanal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 27523
Pubchem (sid): 134992990
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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
Typical G.C.
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
 beef boiled beef
Search  PMC Picture
 bread wheat bread
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 chicory root oil @ 0.024%
Data  GC  Search Trop  Picture
 snake fruit
Search Trop  Picture
 tobacco
Search Trop  Picture
 vanilla bean
Search  Picture
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Synonyms:
3-ethyl butanal
3-ethylbutanal
3-methyl pentanal
3-methyl-1-pentanal
3-methylpentanal
3-methylvaleraldehyde
 valeraldehyde, 3-methyl-
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