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isoamyl 3-methyl thiopropionate
General Material Information
| Preferred name | isoamyl 3-methyl thiopropionate |
| Trivial Name | Pentyl 3-(methylthio)propanoate |
| Short Description | propanoic acid, 3-(methylthio)-, pentyl ester |
| Formula | C9 H18 O2 S |
| CAS Number | 93762-35-7 |
| ECHA Number | 297-748-5 |
| FDA UNII | Search |
| xLogP3-AA | 2.50 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
| Export Tariff Code: | 2915.50.3000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Endeavour Specialty Chemicals | R C Treatt & Co Ltd |
| Robinson Brothers | Synerzine |
| Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 190.30586242676 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.096 to 8.146 |
| Refractive Index | 1.456 to 1.461 @ 20 °C |
| Boiling Point | 126 to 129°C @ 30 mm Hg |
| Boiling Point | 228 to 230°C @ 760 mm Hg |
| Vapor Pressure | 0.014 mmHg @ 25 °C |
| Vapor Density | 6.5 |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 3.166 est |
| Solubility | |
| alcohol | Yes |
| water, slightly | Yes |
| water, 158.7 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| pineapple, fruit tropical fruit, sulfurous | |
| General comment | At 0.10 % in dipropylene glycol. pineapple tropical fruit sulfurous |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Fruit tropical fruit , Pineapple |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. | |
| 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 isoamyl 3-methyl thiopropionate usage levels up to: | |||
| not for fragrance use. | |||
Safety references
| 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 :548370 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| pentyl 3-methylsulfanylpropanoate |
| Chemidplus:0093762357 |