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apple crotonate
General Material Information
| Preferred name | apple crotonate |
| Trivial Name | 1,3-Dimethylbutyl 2-butenoate |
| Short Description | frutinat (Symrise) |
| Formula | C10 H18 O2 |
| CAS Number | 35206-51-0 |
| ECHA Number | 252-438-9 |
| FDA UNII | Search |
| Nikkaji Number | J289.934E |
| Beilstein Number | 14626585 |
| xLogP3-AA | 3.10 (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 |
Suppliers
| Associate Allied Chemicals | Augustus Oils |
| Grau Aromatics | Lluch Essence |
| Moellhausen | PCW France |
| Seqens | SRS Aromatics |
| Symrise | Tadimety Aromatics |
| Vigon International | Augustus Oils Ltd |
| SRS Aromatics Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 170.25186157227 |
| Boiling Point | 204 to 205°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.261 mmHg @ 25 °C |
| Flash Point TCC Value | 71.67 °C TCC |
| logP (o/w) | 3.4 |
| Solubility | |
| alcohol | Yes |
| water, 69.56 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, juicy, apple, pear, plum, grape | |
| Luebke, William tgsc, (1988) | At 100.00 %. fruity juicy apple pear plum grape |
| Stable in: body lotion (good), shampoo (very good), soap (very good), ap roll-on (good), powder (very good), cleaner citric (good), cleaner apc (very good), bleach (poor). | A juicy-fruity odor, reminiscent of apple, pear, plum and grape |
| General comment | Fruity Juicy apple pear plum grape |
Potential Uses
| Applications | |
| Odor purposes | Apple , Fruit , Grape , Pear , Plum |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 36 - Wear suitable protective clothing. | |
| 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. | |
| Human Experience: | |
| 100%: slight irritation. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg | |
| 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 apple crotonate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for apple crotonate 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):35206-51-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6440993 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 4-methylpentan-2-yl (E)-but-2-enoate |
| Chemidplus:0035206510 |