| Trivial Name | 3-mercapto-3-methyl butanal |
| Short Description | butanal, 3-mercapto-3-methyl- |
| Formula | C5 H10 O S |
| CAS Number | 308805-43-8 |
| FDA UNII | CNZ006442E |
| Nikkaji Number | J1.843.507A |
| xLogP3-AA | 0.60 (est) |
| NMR Predictor | External link |
| Synonyms |
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| Perfumer & Flavorists | Start search |
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| PubMeb | Start search |
| NCBI | Start search |
| (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 |
| Material listed in food chemical codex | No |
| Molecular weight | 118.19889831543 |
| Boiling Point | 159 to 161°C @ 760 mm Hg |
| Vapor Pressure | 2.264 mmHg @ 25 °C |
| Flash Point TCC Value | 51.11 °C TCC |
| logP (o/w) | 1.221 est |
| Solubility | |
| alcohol | Yes |
| water, 1.083e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Cheesy | |
| brothy, cheesy | |
| General comment | At 0.10 % in propylene glycol. brothy cheese |
| (data available) |
| 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 | |
| Category: | |||
| natural substances and extractives | |||
| Recommendation for 3-mercapto-3-methyl butanal usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-mercapto-3-methyl butanal flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
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| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :527441 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methyl-3-sulfanylbutanal |
| Chemidplus:0308805438 |