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3-methylthio-4-heptanone

General Material Information

Preferred name 3-methylthio-4-heptanone
Trivial Name 3-methylsulfanylheptan-4-one
Short Description 3-(methylthio)-4-heptanone
Formula C8 H16 O S
CAS Number 64549-15-1
FDA UNII Search
xLogP3-AA 2.40 (est)
NMR Predictor External link
Synonyms
  • 3-methyl thio-4-heptanone
  • 3-( methyl thio)-4-heptanone
  • 3-methylsulfanylheptan-4-one
  • 3-( methylthio)-4-heptanone

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Literature & References

3-methylsulfanylheptan-4-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22150013
Pubchem (sid):162562122
Publications by US Patents
alpha.-Oxy(oxo) sulfide perfume and cologne compositions

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 160.27972412109
Solubility
water, 2218 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Green
green, minty, herbal, vegetable, basil
General comment At 1.00 % in dipropylene glycol. green mint herbal vegetable basil

Safety Information

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

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.

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 :22150013
National Institute of Allergy and Infectious Diseases:Data
3-methylsulfanylheptan-4-one