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methyl R-3-acetoxyhexanoate
General Material Information
| Preferred name | methyl R-3-acetoxyhexanoate |
| Trivial Name | Hexanoic acid, 3-(acetyloxy)-, methyl ester, (R)- |
| Short Description | (R)-3-(acetyloxy)hexanoic acid methyl ester |
| Formula | C9 H16 O4 |
| CAS Number | 77118-93-5 |
| ECHA Number | 278-626-0 |
| FDA UNII | ZV2XBH5CBD |
| Nikkaji Number | J226.160J |
| xLogP3-AA | 1.30 (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 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 188.22331237793 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.429 to 8.479 |
| Refractive Index | 1.42 to 1.426 @ 20 °C |
| Vapor Pressure | 0.988 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 1.566 est |
| Solubility | |
| alcohol | Yes |
| water, 1443 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| fruity, green, lettuce | |
| General comment | At 100.00 %. fruity green lettuce |
| Flavor Type: Green | |
| sweet, green | |
| General comment | Sweet green |
Safety Information
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: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for methyl R-3-acetoxyhexanoate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for methyl R-3-acetoxyhexanoate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):77118-93-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :89463 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl 3-acetyloxyhexanoate |
| Chemidplus:0077118935 |