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5-methyl-heptan-3,4-dione

General Material Information

Preferred name 5-methyl-heptan-3,4-dione
Trivial Name 5-methylheptane-3,4-dione
Short Description 3,4-heptanedione, 5-methyl-
Formula C8 H14 O2
CAS Number 13678-56-3
FDA UNII Search
Nikkaji Number J428.647B
xLogP3-AA 1.50 (est)
NMR Predictor External link
Synonyms
  • 3,4-heptanedione, 5-methyl-
  • 5-methyl heptan-3,4-dione
  • 5-methyl-3,4-heptanedione
  • 5-methylheptan-3,4-dione
  • 5-methylheptane-3,4-dione

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

5-methylheptane-3,4-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15701285
Pubchem (cas):13678-56-3
Publications by US Patents
3,950,566 - Flavoring agent
Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 142.19798278809
Solubility
water, 2.755e+004 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
fruity, chemical
General comment At 1.00 % in dipropylene glycol. fruity chemical
Flavor Type: Fruity
fruity
General comment Fruity

Occurrences

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 5-methyl-heptan-3,4-dione usage levels up to:
not for fragrance use.
Recommendation for 5-methyl-heptan-3,4-dione 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 :15701285
National Institute of Allergy and Infectious Diseases:Data
5-methylheptane-3,4-dione