3-methylthio-4-heptanone
3-(methylthio)-4-heptanone
 
Notes:
None found
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Fragrance Demo Formulas
3-methylsulfanylheptan-4-one (Click)
CAS Number: 64549-15-1Picture of molecule
XlogP3-AA: 2.40 (est)
Molecular Weight: 160.27972000
Formula: C8 H16 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 2218 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Type: green
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 green  minty  herbal  vegetable  basil  
Odor Description:
at 1.00 % in dipropylene glycol. 
green mint herbal vegetable basil
  
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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: information only not used for fragrances or flavors
Recommendation for 3-methylthio-4-heptanone usage levels up to:
 not for fragrance use.
 
Recommendation for 3-methylthio-4-heptanone flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 22150013
National Institute of Allergy and Infectious Diseases: Data
 3-methylsulfanylheptan-4-one
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References:
 3-methylsulfanylheptan-4-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 22150013
Pubchem (sid): 162562122
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
 
For Odor
floral
 neroli oil bigardeFL/FR
naphthyl
beta-naphthyl methyl etherFL/FR
 
For Flavor
 
No flavor group found for these
beta-naphthyl methyl etherFL/FR
floral
 neroli oil bigardeFL/FR
 
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Potential Uses:
 basilFL/FR
 buchuFL/FR
 currant blackFR
 grape concordFR
 greenFR
 herbalFR
 mintFR
 neroliFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3-methyl thio-4-heptanone
3-(methyl thio)-4-heptanone
3-methylsulfanylheptan-4-one
3-(methylthio)-4-heptanone
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