3-mercaptooctanal
octanal, 3-mercapto-
Identification
| Name | 3-mercaptooctanal |
| IUPAC | 3-sulfanyloctanal |
| CAS Number | 473438-39-0 |
| FDA UNII | 4PRF1QK2S4 |
| Molecular Formula | C8 H16 O S |
| Molecular Weight | 160.27972000 |
| Nikkaji Number | J1.843.512H |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 93.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.93000 @ 25.00 °C. |
| Refractive Index | 1.45900 @ 20.00 °C. |
| Boiling Point | 220.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.099000 mmHg @ 25.00 °C. (est) |
| Flash Point | 191.00 °F. TCC ( 88.33 °C. ) |
| logP (o/w) | 2.848 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| 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 3-mercaptooctanal usage levels up to | not for fragrance use. |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
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Potential Uses
Natural Occurrence
Synonyms
octanal, 3-mercapto-
3-
sulfanyl octanal
3-
sulfanyloctanal
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