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fig crotonate
General Material Information
| Preferred name | fig crotonate |
| Trivial Name | 1-Cyclohexylethyl 2-butenoate |
| Short Description | datilat (Symrise) |
| Formula | C12 H20 O2 |
| CAS Number | 68039-69-0 |
| Deleted CAS Number | 514828-01-4 |
| ECHA Number | 268-276-7 |
| FDA UNII | Search |
| Nikkaji Number | J288.970F |
| xLogP3-AA | 3.70 (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 40 000 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 196.28979492188 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.888 to 7.972 |
| Refractive Index | 1.465 to 1.473 @ 20 °C |
| Boiling Point | 261 to 262°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.012 mmHg @ 25 °C |
| Flash Point TCC Value | 121.67 °C TCC |
| logP (o/w) | 4.255 est |
| Solubility | |
| alcohol | Yes |
| paraffin oil | Yes |
| water, 9.372 mg/L @ 25 °C (est) | Yes |
| water | No |
| propylene glycol | No |
Organoleptic Properties
| Odor Type: Fruity | |
| waxy, fruity, green, date, fig, prune, grape skin, brandy | |
| Odor strength | medium |
| Substantivity | 41 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 100.00 %. waxy fruity green date fig prune grape skin |
| 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). | Fruity, reminiscent of figs, raisins, dates, grapes, prunes and brandy |
Potential Uses
| Applications | |
| Odor purposes | Date , Fig , Fruit , Grape , Prune , Raisin |
| Flavoring purposes | Brandy |
| Cosmetic purposes | Perfuming agents |
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. | |
| Human Experience: | |
| no effects detrimental to health are known. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 2000 mg/kg 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). | |
| 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 fig crotonate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for fig 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):68039-69-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6437290 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1-cyclohexylethyl (E)-but-2-enoate |
| Chemidplus:0068039690 |