3-Mercapto-1-hexanol
- CAS NO.：51755-83-0
- Empirical Formula: C6H14OS
- Molecular Weight: 134.24
- MDL number: MFCD00792515
- EINECS: 000-000-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-20 19:50:36
What is 3-Mercapto-1-hexanol?
Chemical properties
clear colorless liquid
The Uses of 3-Mercapto-1-hexanol
3-mercapto-1-hexanol (3MH) are compounds potentially responsible for the development of blackcurrant aroma in red wine. 3-mercapto-1-hexanol was the most important odorant of Grenache rosé wine was with a deep impact on the wine fruity and citric notes. 3-Mercaptohexanol is an thiol compound found in various grape juices.
The Uses of 3-Mercapto-1-hexanol
3-Mercaptohexanol is an thiol compound found in various grape juices and wines.
Definition
ChEBI: An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.
Aroma threshold values
Aroma characteristics at 0.1%: sulfurous, initially fruity then becoming savory and chicken meaty with a slight roasted coffee nuance and a hint of fruitiness on dry out.
Taste threshold values
Taste characteristics at 0.050 to 10 ppm: sulfurous, guava tropical fruity, with a hint of brothy savory and egg.
Synthesis Reference(s)
Tetrahedron Letters, 25, p. 507, 1984 DOI: 10.1016/S0040-4039(00)99923-4
Properties of 3-Mercapto-1-hexanol
| Boiling point: | 250 °C |
| Density | 0.97 |
| refractive index | 1.479-1.481 |
| FEMA | 3850 | 3-MERCAPTOHEXANOL |
| Flash point: | 100°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform, DMSO, Methanol, Water |
| form | Liquid |
| pka | 10.49±0.10(Predicted) |
| color | Clear colorless |
| Odor | at 0.10 % in dipropylene glycol. sulfurous fruity tropical |
| Water Solubility | Insoluble |
| JECFA Number | 545 |
| BRN | 1846873 |
| CAS DataBase Reference | 51755-83-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Mercaptohexanol(51755-83-0) |
| EPA Substance Registry System | 1-Hexanol, 3-mercapto- (51755-83-0) |
Safety information for 3-Mercapto-1-hexanol
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Mercapto-1-hexanol
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