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3-mercapto-3-methyl-1-hexanol
General Material Information
| Preferred name | 3-mercapto-3-methyl-1-hexanol |
| Trivial Name | 3-Mercapto-3-methylhexan-1-ol |
| Short Description | 1-hexanol, 3-mercapto-3-methyl- |
| Formula | C7 H16 O S |
| CAS Number | 307964-23-4 |
| FDA UNII | Search |
| Nikkaji Number | J1.992.432G |
| xLogP3-AA | 1.70 (est) |
| 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
| Leffingwell: | Chirality or Article |
| 3-methyl-3-sulfanylhexan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10130039 |
| Pubchem (sid): | 39968474 |
| Publications by US Patents | |
| 6,610,346 - Mercapto-alkanol flavor compounds | |
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 |
| Export Tariff Code: | 2930.90.9999 |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Carbosynth |
| Endeavour Specialty Chemicals | Jiangyin Healthway |
| Robinson Brothers | Jiangyin Healthway International Trade Co., Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 148.26872253418 |
| Vapor Pressure | 0.023 mmHg @ 25 °C |
| Flash Point TCC Value | 87.2 °C TCC |
| logP (o/w) | 2.193 est |
| Solubility | |
| alcohol | Yes |
| water, 1133 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Flavor Type: Fruity | |
| passion fruit, currant black currant, green, fruity | |
| General comment | Passion fruit, black currant, green fruity |
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 3-mercapto-3-methyl-1-hexanol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 3-mercapto-3-methyl-1-hexanol 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 :10130039 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methyl-3-sulfanylhexan-1-ol |