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isopropyl thioisovalerate
General Material Information
| Preferred name | isopropyl thioisovalerate |
| Trivial Name | S-Isopropyl 3-methylbutanethioate |
| Short Description | butanethioic acid, 3-methyl-, S-(1-methylethyl) ester |
| Formula | C8 H16 O S |
| CAS Number | 34322-06-0 |
| ECHA Number | 251-936-3 |
| FDA UNII | Search |
| Nikkaji Number | J287.899B |
| xLogP3-AA | 2.70 (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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Beijing Lys Chemicals | BOC Sciences |
| Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 160.27972412109 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.414 to 7.581 |
| Refractive Index | 1.45 to 1.458 @ 20 °C |
| Boiling Point | 193 to 195°C @ 760 mm Hg |
| Vapor Pressure | 0.398 mmHg @ 25 °C |
| Flash Point TCC Value | 62.78 °C TCC |
| logP (o/w) | 3.095 est |
| Solubility | |
| alcohol | Yes |
| water, 469.5 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, galbanum, sulfurous | |
| General comment | At 0.01 % in dipropylene glycol. green galbanum sulfurous |
Potential Uses
| Applications | |
| Odor purposes | Galbanum |
| Flavoring purposes | Green |
| Cosmetic purposes | Perfuming agents |
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 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves 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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for isopropyl thioisovalerate usage levels up to: | |||
| 0.0300 % in the fragrance concentrate. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):34322-06-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :118641 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| S-propan-2-yl 3-methylbutanethioate |
| Chemidplus:0034322060 |