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(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
General Material Information
| Preferred name | (Z)-3-hexen-1-yl 2-methyl-2-pentenoate |
| Trivial Name | (3Z)-3-Hexen-1-yl 2-methyl-2-pentenoate |
| Short Description | cis-3-hexenyl 2-methyl-2-pentenoate |
| Formula | C12 H20 O2 |
| CAS Number | 76649-17-7 |
| ECHA Number | 278-511-5 |
| FDA UNII | Search |
| 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 |
| Export Tariff Code: | 2916.19.6000 |
| ChemSpider: | View |
Suppliers
| BOC Sciences |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 196.28979492188 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.497 to 7.589 |
| Refractive Index | 1.455 to 1.465 @ 20 °C |
| Vapor Pressure | 0.01 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 104.44 °C TCC |
| logP (o/w) | 4.222 est |
| Solubility | |
| alcohol | Yes |
| water, 7.69 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fresh, green, natural, metallic, tropical, waxy | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 10.00 % in dipropylene glycol. fresh green natural metallic tropical waxy |
| Flavor Type: Green | |
| fresh, green, fruity, tropical, spicy, oily, waxy, mango, mahogany | |
| Luebke, William tgsc, (1989) | Fresh green fruity tropical spicy oily waxy mango mahogany |
Potential Uses
| Applications | |
| Odor purposes | Apple , Fruit , Green , Hyacinth , Jasmin , Reseda |
| Other purposes | Waxy |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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 (Z)-3-hexen-1-yl 2-methyl-2-pentenoate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for (Z)-3-hexen-1-yl 2-methyl-2-pentenoate 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):76649-17-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6441873 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| [(E)-hex-3-enyl] (Z)-2-methylpent-2-enoate |
| Chemidplus:0076649177 |