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dimethylbenzyl carbinyl crotonate
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 93762-34-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 297-746-4 | |
| FDA UNII: | HA5X7B2LLJ | |
| Nikkaji Web: | J333.426K | |
| XlogP3-AA: | 3.50 (est) | |
| Molecular Weight: | 218.29586000 | |
| Formula: | C14 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 2025 dimethylbenzyl carbinyl crotonate |
| FEMA Number: | 4403 dimethylbenzyl carbinyl crotonate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 93762-34-6 ; DIMETHYLBENZYL CARBINYL CROTONATE |
Physical Properties:
| Appearance: | colorless clear oily liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99500 to 0.10030 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.289 to 0.836 |
| Refractive Index: | 1.50500 to 1.51100 @ 20.00 °C. |
| Boiling Point: | 311.00 to 312.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 80.00 to 82.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 326.00 °F. TCC ( 163.33 °C. ) |
| logP (o/w): | 3.886 (est) |
| Soluble in: | |
| alcohol | |
| water, 8.917 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl crotonate | |
| isoamyl crotonate | |
| apple crotonate | |
| benzyl crotonate | |
| butyl (E)-2-crotonate | |
| citronellyl crotonate | |
| cyclohexyl crotonate | |
| ethyl (E)-2-crotonate | |
| ethyl crotonate | |
| fig crotonate | |
| geranyl crotonate | |
| heptyl crotonate | |
| (Z)-3-hexen-1-yl (E)-crotonate | |
| (E)-3-hexen-1-yl crotonate | |
| hexyl (E)-crotonate | |
| octyl crotonate | |
| phenethyl crotonate | |
| 3-phenyl propyl crotonate | |
| plum crotonate | |
| isopropyl (E)-crotonate | |
| propyl crotonate | |
| isopropyl 3-methyl thiocrotonate | |
Organoleptic Properties:
| Odor Type: herbal | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| herbal fruity spicy | |
| Odor Description: at 10.00 % in dipropylene glycol. | herbal fruity spicy |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Parchem |
| dimethyl benzyl carbinyl crotonate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
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: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for dimethyl benzyl carbinyl crotonate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Structure Class: | I | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 1.00000 | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 3.00000 | |
| fruit ices: | 2.00000 | 3.00000 | |
| gelatins / puddings: | 2.00000 | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 10.00000 | 20.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 10.00000 | 20.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 16205756 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate | |
| Chemidplus: | 0093762346 |
References:
| (2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 16205756 |
| Pubchem (sid): | 135216393 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32227 |
| FooDB: | FDB009306 |
| ChemSpider: | View |
| FAO: | Dimethylbenzyl carbinyl crotonate |
Potential Blenders and core components note
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzyl dimethyl carbinol crotonate | |
| benzyl dimethyl carbinyl crotonate | |
| benzyl propyl crotonate | |
| dimethyl benzyl carbinol crotonate | |
| alpha,alpha- | dimethyl phenethyl crotonate |
| alpha,alpha- | dimethyl phenyl ethyl crotonate |
| 1,1- | dimethyl-2-phenethyl 2-butenoate |
| 1,1- | dimethyl-2-phenyl ethyl 2-butenoate |
| 1,1- | dimethyl-2-phenylethyl 2-butenoate |
| dimethylbenzyl carbinyl crotonate | |
| 1,1- | dimethylphenetyl crotonate |
| (2- | methyl-1-phenylpropan-2-yl) (E)-but-2-enoate |