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3-mercapto-4-heptanone

Chemical Structure

General Material Information

Preferred name 3-mercapto-4-heptanone
Trivial Name 3-Mercapto-4-heptanone
Short Description 4-heptanone, 3-mercapto-
Formula C7 H14 O S
CAS Number 63458-78-6
ECHA Number 264-210-6
FDA UNII Search
Nikkaji Number J349.206K
xLogP3-AA 2.00 (est)
NMR Predictor External link
Synonyms
  • 4-heptanone, 3-mercapto-
  • 3-mercaptoheptan-4-one
  • 3-sulfanylheptan-4-one
  • 3-sulfanylheptan-4-one
  • 4-Heptanone, 3-mercapto-

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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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 146.25277709961
Vapor Pressure 0.5 mmHg @ 25 °C
Flash Point TCC Value 70.3 °C TCC
logP (o/w) 2.26 est
Solubility
water, 3391 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Herbal
buchu, grapefruit, green, currant bud black currant bud
General comment At 0.10 % in propylene glycol. strong buchu grapefruit green cassis

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-mercapto-4-heptanone usage levels up to:
not for fragrance use.
Recommendation for 3-mercapto-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 :3017418
National Institute of Allergy and Infectious Diseases:Data
3-sulfanylheptan-4-one
Chemidplus:0063458786