Articles:
| US Patents: | alpha.-Oxy(oxo) sulfide perfume and cologne compositions |
3-(methylthio)-4-heptanone
Notes:
None found
| Fragrance Demo Formulas | ||
| CAS Number: | 64549-15-1 |  3D/inchi
|
| FDA UNII: | Search | |
| XlogP3-AA: | 2.40 (est) | |
| Molecular Weight: | 160.27972000 | |
| Formula: | C8 H16 O S | |
| 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 |
| Soluble in: | |
| water, 2218 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: green | |
| green minty herbal vegetable basil | |
| Odor Description: at 1.00 % in dipropylene glycol. | green mint herbal vegetable basil |
| 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 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 |
References:
| 3-methylsulfanylheptan-4-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 22150013 |
| Pubchem (sid): | 162562122 |
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 |
Potential Blenders and core components note
| For Odor | ||
| floral | ||
| neroli oil bigarde | FL/FR | |
| naphthyl | ||
| beta- | naphthyl methyl ether | FL/FR |
| For Flavor | ||
| floral | ||
| neroli oil bigarde | FL/FR | |
| naphthyl | ||
| beta- | naphthyl methyl ether | FL/FR |
Potential Uses:
| basil oil replacer | FR | |
| buchu leaf | FL | |
| currant black currant | FR | |
| grape concord grape | FR | |
| green | FR | |
| herbal | FR | |
| mint | FR | |
| neroli | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 3- | methyl thio-4-heptanone |
| 3-( | methyl thio)-4-heptanone |
| 3- | methylsulfanylheptan-4-one |
| 3-( | methylthio)-4-heptanone |