Articles:
| None found yet. |
1-hexanol, 3-mercapto-, (3S)-
Notes:
Constit. of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa)
| CAS Number: | 90180-90-8 |  3D/inchi
|
| FDA UNII: | N74437J364 | |
| Nikkaji Web: | J1.686.514A | |
| XlogP3-AA: | 1.50 (est) | |
| Molecular Weight: | 134.24178000 | |
| Formula: | C6 H14 O S | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 212.40 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 180.00 °F. TCC ( 82.30 °C. ) (est) |
| logP (o/w): | 1.640 (est) |
| Soluble in: | |
| water, 3166 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | high , recommend smelling in a 0.10 % solution or less |
| fruity juicy fruit tropical fruit grapefruit currant black currant buchu mango guava | |
| Odor Description: at 0.10 % in dipropylene glycol. | fruity juicy tropical fruits grapefruit blackcurrant buchu mango guava |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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 (S)-3-thiohexanol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (S)-3-thiohexanol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7162054 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (3S)-3-sulfanylhexan-1-ol | |
| Chemidplus: | 0090180908 |
References:
| Leffingwell: | Chirality or Article |
| (3S)-3-sulfanylhexan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 7162054 |
| Pubchem (sid): | 223369608 |
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 |
| FooDB: | FDB019853 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| passiflora edulis f. flavicarpa Search Trop Picture |
Synonyms:
| 1- | hexanol, 3-mercapto-, (3S)- |
| 1- | hexanol, 3-mercapto-, (S)- |
| (S)-3- | mercapto-1-hexanol |
| (3S)-3- | mercaptohexan-1-ol |
| (3S)-3- | mercaptohexanol |
| 3- | mercaptohexanol, (S)- |
| (S)-3- | mercaptohexyl alcohol |
| (S)- | passion fruit mercaptan |
| (S)- | passionfruit mercaptan |
| (3S)-3- | sulfanylhexan-1-ol |