| Preferred name | 3-mercaptooctanal |
| Trivial Name | 3-sulfanyloctanal |
| Short Description | octanal, 3-mercapto- |
| Formula | C8 H16 O S |
| CAS Number | 473438-39-0 |
| FDA UNII | 4PRF1QK2S4 |
| Nikkaji Number | J1.843.512H |
| xLogP3-AA | 2.30 (est) |
| NMR Predictor | External link |
| Synonyms |
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| (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 |
| Material listed in food chemical codex | No |
| Molecular weight | 160.27972412109 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Vapor Pressure | 0.099 mmHg @ 25 °C |
| Flash Point TCC Value | 88.33 °C TCC |
| logP (o/w) | 2.848 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 371.7 mg/L @ 25 °C (est) | Yes |
| water | No |
| Odor Type: Citrus | |
| citrus, fruity, peely, grapefruit, green | |
| General comment | At 0.10 % in propylene glycol. citrus fruity peely grapefruit green |
| 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 | |
| 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 | ||
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
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| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :527442 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-sulfanyloctanal |
| Chemidplus:0473438390 |