2-ethyl hexyl mercaptan
2-ethylhexanethiol
Identification
| Name | 2-ethyl hexyl mercaptan |
| IUPAC | 2-ethylhexane-1-thiol |
| CAS Number | 7341-17-5 |
| EINECS | 230-854-1 |
| FDA UNII | 9M9TA4S7BL |
| Molecular Formula | C8 H18 S |
| Molecular Weight | 146.29646000 |
| MDL Number | MFCD00039654 |
| Nikkaji Number | J103.158I |
| Beilstein | 1733054 |
| CoE Number | 12128 |
| XlogP3 | 4.00 (est) |
Regulatory
| JECFA Food Flavoring | 519 2-ethylhexanethiol |
| DG SANTE Food Flavourings | 12.128 2-ethylhexane-1-thiol |
| FEMA Number | 3833 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 7341-17-5 ; 2-ETHYLHEXANETHIOL |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.81700 to 0.82700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.798 to 6.881 |
| Refractive Index | 1.45300 to 1.45900 @ 20.00 °C. |
| Melting Point | -40.00 to -39.00 °C. @ 760.00 mm Hg |
| Boiling Point | 178.00 to 182.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.827000 mmHg @ 25.00 °C. (est) |
| Flash Point | 140.00 °F. TCC ( 60.00 °C. ) |
| logP (o/w) | 4.343 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | refrigerate in tightly sealed containers. |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 2-ethyl hexyl mercaptan usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.10000 |
| beverages(nonalcoholic) | 0.10000 |
| beverages(alcoholic) | - |
| breakfast cereal | 0.10000 |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.10000 |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.10000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | 0.10000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 100.00000 |
| snack foods | - |
| soft candy | 0.10000 |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | 0.10000 |
BOC Sciences
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Potential Uses
Natural Occurrence
Synonyms
2-
ethyl -1- hexanethiol
2-
ethyl hexane thiol
2-
ethyl hexane-1-thiol
2-
ethyl hexanethiol
2-
ethyl-1-hexane thiol
2-
ethyl-1-hexanethiol
2-
ethylhexane-1-thiol
2-
ethylhexanethiol
2-
ethylhexyl mercaptan
2-
ethylhexylmercaptan
1-
hexanethiol, 2-ethyl-
2-
octyl mercaptan
PubMed:
Communication: Slow supramolecular mode in amine and thiol derivatives of 2-ethyl-1-hexanol revealed by combined dielectric and shear-mechanical studies.
PubMed:
Enhanced charge separation in ternary P3HT/PCBM/CuInS2 nanocrystals hybrid solar cells.
PubMed:
Characterization of odor-active compounds in cooked meat of farmed obscure puffer (Takifugu obscurus) using gas chromatography-mass spectrometry-olfactometry.