Articles:
Notes:
Blends well with aldehydes, ionones, woody and fruity lactones.
waxy floral fruity accord:
0.05 - leerall
0.01 - aldehyde C-14
0.05 - aldehyde C18 10%
0.01 - musk gx
0.01 - raspberry ketone 10%
0.01 - aldehyde C-16 10%
rose accord:
0.01 - dihydromyrcenol
0.05 - benzyl propionate
0.05 - linalyl acetate
0.05 - phenethyl alcohol
0.01 - aldehyde C-14 10%
0.20 - amyl cinnamaldehyde
0.01 - ma/hy shiff
0.05 - naphthyl ethyl ether
0.01 - aldehyde C-16 10%
0.05 - geraniol
Fragrance used in food
| Fragrance Demo Formulas Flavor Demo Formulas | ||
| Name: | ethyl 3-methyl-3-phenyloxirane-2-carboxylate | |
| CAS Number: | 77-83-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 201-061-8 | |
| FDA UNII: | UD51D5KR4A | |
| Nikkaji Web: | J15.727I | |
| Beilstein Number: | 0012299 | |
| MDL: | MFCD00022338 | |
| FEMA Number: | 2444 | |
| CoE Number: | 6002 | |
| XlogP3-AA: | 1.90 (est) | |
| Molecular Weight: | 206.24118000 | |
| Formula: | C12 H14 O3 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (R,R)-strawberry glycidate 1 | |
| (R,S)-strawberry glycidate 1 | ||
| (S,R)-strawberry glycidate 1 | ||
| (S,S)-strawberry glycidate 1 | ||
| EFSA/JECFA Comments: | Mixture of diastereoisomers (two cis (15-25 % each) - and two trans-forms (25-35 % each) around oxirane ring) (EFFA, 2013). | |
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: | 1577 ethyl methylphenylglycidate |
| Flavis Number: | 16.015 (Old) |
| DG SANTE Food Flavourings: | 16.015 ethyl methylphenylglycidate |
| FEMA Number: | 2444 ethyl methylphenylglycidate |
| FDA Mainterm: | 3-METHYL-3-PHENYL GLYCIDIC ACID ETHYL ESTER |
| FDA Regulation: | |
| FDA PART 182 -- SUBSTANCES GENERALLY RECOGNIZED AS SAFE Subpart A--General Provisions Sec. 182.60 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 1.08600 to 1.11200 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.037 to 9.253 |
| Refractive Index: | 1.49900 to 1.51200 @ 20.00 °C. |
| Boiling Point: | 272.00 to 275.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 1.655 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| moisture Sensitive. | |
| Soluble in: | |
| benzyl alcohol | |
| ethyl alcohol, 1:2 80 % alcohol | |
| ethyl alcohol, 4 parts of 70% alcohol | |
| fixed oils | |
| paraffin oil, slightly | |
| propylene glycol | |
| water, 111.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| glycerin | |
| Stability: | |
| cream | |
| detergent powder | |
| hair spray | |
| household product | |
| lotion | |
| non-discoloring | |
| powder | |
| soap | |
Organoleptic Properties:
| Odor Type: | fruity |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | sweet fruity strawberry floral honey fatty |
| Substantivity: | 241 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents viscosity controlling agents |
Safety Information:
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
|
R 36 - Irritating to eyes. R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 25 - Avoid contact with eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Human Experience: | 1 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 [sex: M,F] 5470 mg/kg (Jenner et al., 1964) oral-rat LD50 5000 mg/kg (Levenstein, 1976g) oral-rat LD50 5470 mg/kg (Bär & Griepentrog, 1967) oral-guinea pig LD50 [sex: M,F] 4050 mg/kg (Jenner et al., 1964) oral-guinea pig LD50 4050 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rat LD50 5470 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE SKIN AND APPENDAGES (SKIN): HAIR: OTHER Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for strawberry glycidate 1 usage levels up to: | |||
| 15.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 205.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1840.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 18.00000 | |
| beverages(nonalcoholic): | - | 5.60000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 470.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 6.70000 | |
| fruit ices: | - | 6.70000 | |
| gelatins / puddings: | - | 13.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 21.00000 | |
| 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: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| European Food Safety Athority(efsa): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Flavouring Group Evaluation 31 (FGE.31) - One Epoxide from Chemical Group 32 [1] - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 82 (FGE.82)[1] - Consideration of Epoxides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 82, Revision 1 (FGE.82Rev1): Consideration of Epoxides evaluated by the JECFA (65th meeting) View page or View pdf | |
| EPI System: | View |
| NLM Hazardous Substances Data Bank: | Search |
| Chemical Carcinogenesis Research Information System: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| Carcinogenic Potency Database: | Search |
| Env. Mutagen Info. Center: | Search |
| NLM Developmental and Reproductive Toxicity: | Search |
| EPA Substance Registry Services (TSCA): | 77-83-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6501 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 2 |
| ethyl 3-methyl-3-phenyloxirane-2-carboxylate | |
| Chemidplus: | 0000077838 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | MW5250000 for cas# 77-83-8 |
References:
| ethyl 3-methyl-3-phenyloxirane-2-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 77-83-8 |
| Pubchem (cid): | 6501 |
| Pubchem (sid): | 134972800 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31729 |
| FooDB: | FDB008392 |
| Export Tariff Code: | 2918.90.6000 |
| Haz-Map: | View |
| ChemSpider: | View |
| Wikipedia: | View |
| RSC Learn Chemistry: | View |
| Formulations/Preparations: grade: fcc (as aldehyde c-16) | |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| aldehydic | FR | |
| almond | FR | |
| angel essence | FR | |
| apple | FR | |
| apple green apple | FR | |
| apple red apple | FR | |
| apricot | FR | |
| blackberry | FR | |
| blueberry | FR | |
| butterscotch | FR | |
| cherry | FR | |
| cherry blossom | FR | |
| christmas | FR | |
| citrus | FR | |
| civet | FR | |
| cranberry | FR | |
| cyclamen | FR | |
| decumaria | FR | |
| floral | FR | |
| grape | FR | |
| hibiscus | FR | |
| hyacinth | FR | |
| jasmin | FR | |
| kiwi | FR | |
| lilac | FR | |
| lily | FR | |
| melon | FR | |
| mulberry | FR | |
| orange blossom | FR | |
| papaya | FR | |
| passion fruit | FR | |
| peach | FR | |
| peach blossom | FR | |
| pineapple | FR | |
| plum | FR | |
| potpourri | FR | |
| raspberry | FR | |
| raspberry black raspberry | FR | |
| rose | FR | |
| rose absolute replacer | FR | |
| spice | FR | |
| strawberry | FR | |
| valerian | FL/FR | |
| vanilla | FR | |
| violet | FR | |
| warm | ||
| zibeline | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| aldehyde C 16 | |
| aldehyde C-16 | |
| aldehyde C-16 (EMPG) | |
| aldehyde C-16 (so called) | |
| aldehyde C-16 (so-called) | |
| aldehyde C-16 10% dpg | |
| aldehyde C-16 FCC | |
| aldehyde C16 | |
| aldehyde c16 "so called" FCC | |
| butanoic acid, 2,3-epoxy-3-phenyl-, ethyl ester | |
| 2,3- | epoxy-3-phenyl butyric acid ethyl ester |
| 2,3- | epoxy-3-phenylbutyric acid, ethyl ester |
| alpha,beta- | epoxy-beta-methyl hydrocinnamic acid ethyl ester |
| ethyl 2,3-epoxy-2-methyl-3-phenyl propionate | |
| ethyl 2,3-epoxy-3-methyl-3-phenyl propionate | |
| ethyl 2,3-epoxy-3-methyl-3-phenylpropionate | |
| ethyl 2,3-epoxy-3-phenyl butanoate | |
| ethyl 2,3-epoxy-3-phenylbutyrate | |
| ethyl 3-methyl 3-phenyl glycidate | |
| ethyl 3-methyl-2,3-epoxy-hydrocinamic acid | |
| ethyl 3-methyl-3-phenyl glycidate | |
| ethyl 3-methyl-3-phenyl oxirane carboxylate | |
| ethyl 3-methyl-3-phenyl-2-oxiranecarboxylate | |
| ethyl 3-methyl-3-phenylglycidate | |
| ethyl 3-methyl-3-phenyloxirane-2-carboxylate | |
| ethyl 3-methyl-3-phenyloxiranecarboxylate | |
| ethyl alpha,beta-epoxy-beta-methyl hydrocinnamate | |
| ethyl alpha,beta-epoxy-beta-methyl phenyl propionate | |
| ethyl ester of 2, 3-epoxy-3-phenylbutanoic acid | |
| ethyl ester of 2,3-epoxy-3-phenylbutanoic acid | |
| ethyl methyl phenyl glycidate | |
| ethyl methylphenylglycidate | |
| ethyl(methyl phenyl)glycidate | |
| fraise pure | |
| 3- | methyl-3-phenyl glycidic acid ethyl ester |
| 3- | methyl-3-phenyl hydrocinnamic acid, ethylester |
| 3- | methyl-3-phenyl oxirane carboxylic acid ethyl ester |
| 3- | methyl-3-phenylglycidic acid ethyl ester |
| 3- | methyl-3-phenylglycidic acid, ethyl ester |
| 3- | methyl-3-phenyloxiranecarboxylic acid, ethyl ester |
| 2- | oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester |
| 3- | phenyl-2,3-epoxybutyic acid ethyl ester |
| 3- | phenyl-2,3-epoxybutyric acid ethyl ester |
| strawberry aldehyde | |
| strawberry glycidate 1 | |
| strawberry glycidate 1 (aldehyde C-16 (so-called)) | |
| strawberry pure (Givaudan) |