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3-methyl pentyl angelate
General Material Information
| Preferred name | 3-methyl pentyl angelate |
| Trivial Name | 3-Methylpentyl (2Z)-2-methyl-2-butenoate |
| Short Description | 2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)- |
| Formula | C11 H20 O2 |
| CAS Number | 53082-58-9 |
| ECHA Number | 258-350-7 |
| FDA UNII | Search |
| Nikkaji Number | J68.567D |
| xLogP3-AA | 3.50 (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 |
| FooDB: | FDB004818 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Soda Aromatic |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 184.27879333496 |
| Boiling Point | 228 to 230°C @ 760 mm Hg |
| Vapor Pressure | 0.069 mmHg @ 25 °C |
| Flash Point TCC Value | 84.6 °C TCC |
| logP (o/w) | 4.341 est |
| Solubility | |
| alcohol | Yes |
| water, 17.56 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Woody | |
| woody, floral, celery, seedy, chamomile | |
| General comment | At 100.00 %. woody floral celery seed chamomile |
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 3-methyl pentyl angelate 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):53082-58-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6437020 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3-methylpentyl (Z)-2-methylbut-2-enoate |
| Chemidplus:0053082589 |