Articles:
| US Patents: | 3,950,566 - Flavoring agent |
| US Patents: | Furfurylthioacetone |
| US Patents: | Certain 2,5-dimethyl-3-thiopyrazines |
3,4-heptanedione, 5-methyl-
Notes:
None found
| CAS Number: | 13678-56-3 |  3D/inchi
|
| FDA UNII: | Search | |
| Nikkaji Web: | J428.647B | |
| XlogP3-AA: | 1.50 (est) | |
| Molecular Weight: | 142.19798000 | |
| Formula: | C8 H14 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge 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 |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 55.00 °C. @ 12.00 mm Hg |
| Soluble in: | |
| water, 2.755e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity chemical | |
| Odor Description: at 1.00 % in dipropylene glycol. | fruity chemical |
| Flavor Type: fruity | |
| fruity | |
| Taste Description: | fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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 |
References:
| 5-methylheptane-3,4-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 15701285 |
| Pubchem (cas): | 13678-56-3 |
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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| coffee Search PMC Picture |
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 |