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1-(2-thienyl)-1,2-propane dione
General Material Information
| Preferred name | 1-(2-thienyl)-1,2-propane dione |
| Trivial Name | 1-(2-Thienyl)-1,2-propanedione |
| Short Description | 1,2-propanedione, 1-(2-thienyl)- |
| Formula | C7 H6 O2 S |
| CAS Number | 13678-69-8 |
| ECHA Number | 237-174-4 |
| FDA UNII | Search |
| Nikkaji Number | J277.985D |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 1-thiophen-2-ylpropane-1,2-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 83652 |
| Pubchem (sid): | 135041225 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
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): | HMDB40002 |
| FooDB: | FDB019684 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 154.18821716309 |
| Boiling Point | 237 to 238°C @ 760 mm Hg |
| Vapor Pressure | 0.044 mmHg @ 25 °C |
| Flash Point TCC Value | 97.5 °C TCC |
| logP (o/w) | 0.965 est |
| Solubility | |
| water, 1.167e+004 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Woody | |
| praline, woody | |
| General comment | At 0.10 % in propylene glycol. praline woody |
| Flavor Type: Praline | |
| praline | |
| General comment | Praline-like |
Occurrences
| (data available) |
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: | |||
| natural substances and extractives | |||
| Recommendation for 1-(2-thienyl)-1,2-propane dione usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 1-(2-thienyl)-1,2-propane 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 :83652 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-thiophen-2-ylpropane-1,2-dione |
| Chemidplus:0013678698 |