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octanal, 3-mercapto-
Notes:
None found
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 473438-39-0 |  3D/inchi
|
| FDA UNII: | 4PRF1QK2S4 | |
| Nikkaji Web: | J1.843.512H | |
| XlogP3-AA: | 2.30 (est) | |
| Molecular Weight: | 160.27972000 | |
| Formula: | C8 H16 O S | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| EFSA/JECFA Comments: | Stereoisomeric composition to be specified. CASrn in Register refers to the racemate. Substance no longer supported by Industry (EFSA, 2011ai). | |
Category: flavoring agents
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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
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 | |
| water, slightly | |
| water, 371.7 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: citrus | |
| citrus fruity peely grapefruit green | |
| Odor Description: at 0.10 % in propylene glycol. | citrus fruity peely grapefruit green |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | flavoring agents | ||
| Recommendation for 3-mercaptooctanal usage levels up to: | |||
| not for fragrance use. | |||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
Safety References:
| 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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| 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 |
References:
| 3-sulfanyloctanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 527442 |
| Pubchem (sid): | 10544252 |
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 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| octanal, 3-mercapto- | |
| 3- | sulfanyl octanal |
| 3- | sulfanyloctanal |