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isooctyl acetate
General Material Information
| Preferred name | isooctyl acetate |
| Trivial Name | Isooctyl acetate |
| Short Description | 1-heptanol, 6-methyl-, acetate |
| Formula | C10 H20 O2 |
| CAS Number | 31565-19-2 |
| ECHA Number | 250-701-2 |
| FDA UNII | Search |
| NMR Predictor | External link |
| Synonyms |
|
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| 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): | HMDB32070 |
| FooDB: | FDB008780 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 172.26780700684 |
| Boiling Point | 195 to 196°C @ 760 mm Hg |
| Vapor Pressure | 0.413 mmHg @ 25 °C |
| Flash Point TCC Value | 77.22 °C TCC |
| logP (o/w) | 3.686 est |
| Solubility | |
| alcohol | Yes |
| water, 38.59 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, estery, fruity | |
| General comment | At 100.00 %. sweet estery fruity |
Occurrences
| (data available) |
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: | |||
| 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 isooctyl acetate 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):31565-19-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :169321 |
| National Institute of Allergy and Infectious Diseases:Data |
| 6-methylheptyl acetate |
| Chemidplus:0031565192 |
| EPA/NOAA CAMEO:hazardous materials |