Articles:
| US Patents: | 6,805,893 - Mercapto-alkanol flavor compounds |
1-hexanol, 3-mercapto-3-methyl-, (3R)-
Notes:
None found
| CAS Number: | 828300-39-6 |  3D/inchi
|
| FDA UNII: | Search | |
| Nikkaji Web: | J3.078.694G | |
| XlogP3-AA: | 1.70 (est) | |
| Molecular Weight: | 148.26872000 | |
| Formula: | C7 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 |
| Boiling Point: | 220.55 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.023000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 189.00 °F. TCC ( 87.20 °C. ) (est) |
| logP (o/w): | 1.993 (est) |
| Soluble in: | |
| water, 1133 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: citrus | |
| grapefruit passion fruit currant black currant onion | |
| Odor Description: at 0.10 % in propylene glycol. | grapefruit passion fruit blackcurrant onion |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Aston Chemical |
| For experimental / research use only. |
| 1-Hexanol, 3-mercapto-3-methyl-, (3R)- |
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 (R)-mercapto-3-methyl hexan-1-ol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (R)-mercapto-3-methyl hexan-1-ol 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 : | 9793841 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (3R)-3-methyl-3-sulfanylhexan-1-ol |
References:
| Leffingwell: | Chirality or Article |
| (3R)-3-methyl-3-sulfanylhexan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 9793841 |
| Pubchem (sid): | 162712978 |
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
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1- | hexanol, 3-mercapto-3-methyl-, (3R)- |
| (3R)-(+)-3- | mercapto-3-methyl hexan-1-ol |
| (3R)-3- | methyl-3-sulfanyl-1-hexanol |
| (3R)-3- | methyl-3-sulfanylhexan-1-ol |