Articles:
| US Patents: | 6,610,346 - Mercapto-alkanol flavor compounds |
2-butanol, 3-mercapto-
Notes:
Flavouring ingredient
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| CAS Number: | 54812-86-1 |  3D/inchi
|
| FDA UNII: | Search | |
| Nikkaji Web: | J863.633H | |
| MDL: | MFCD00010271 | |
| XlogP3-AA: | 0.70 (est) | |
| Molecular Weight: | 106.18790000 | |
| Formula: | C4 H10 O S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavoring agents
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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FDA Mainterm (SATF): | 54812-86-1 ; 2-MERCAPTO-3-BUTANOL |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01200 to 1.01600 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.431 to 8.464 |
| Refractive Index: | 1.48000 to 1.48400 @ 20.00 °C. |
| Boiling Point: | 162.00 to 163.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.750000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 143.00 °F. TCC ( 61.70 °C. ) (est) |
| logP (o/w): | 0.477 (est) |
| Soluble in: | |
| alcohol | |
| water, 3.195e+004 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Aston Chemical |
| For experimental / research use only. |
| 2-Butanol, 3-mercapto- |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Mercapto-2-butanol (mixture of isomers) >97.0%(GC) |
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: | flavoring agents | ||
| Recommendation for 2-mercapto-3-butanol usage levels up to: | |||
| not for fragrance 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 : | 62087 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-sulfanylbutan-2-ol | |
| Chemidplus: | 0054812861 |
References:
| 3-sulfanylbutan-2-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 62087 |
| Pubchem (sid): | 135021363 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB40185 |
| FooDB: | FDB019897 |
| Export Tariff Code: | 2930.90.9190 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2- | butanol, 3-mercapto- |
| 3- | hydroxy-2-butane thiol |
| 3- | hydroxy-2-butanethiol |
| 2- | hydroxy-3-butane thiol |
| 2- | hydroxy-3-butanethiol |
| 2- | hydroxy-3-mercaptobutane |
| 3- | mercapto-2-butanol |
| 3- | mercaptobutan-2-ol |
| 3- | sulfanylbutan-2-ol |