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strawberry glycidate 1 (aldehyde C-16 (so-called))
General Material Information
| Preferred name | strawberry glycidate 1 (aldehyde C-16 (so-called)) |
| Trivial Name | Ethyl 3-methyl-3-phenylglycidate |
| Short Description | ethyl methylphenylglycidate |
| Formula | C12 H14 O3 |
| CAS Number | 77-83-8 |
| FEMA Number | 2444 |
| ECHA Number | 201-061-8 |
| FDA UNII | UD51D5KR4A |
| Nikkaji Number | J15.727I |
| Beilstein Number | 0012299 |
| MDL | MFCD00022338 |
| COE Number | 6002 |
| xLogP3-AA | 1.90 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1577 ethyl methylphenylglycidate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 77-83-8 ; 3-METHYL-3-PHENYL GLYCIDIC ACID ETHYL ESTER |
| 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 |
Literature & 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 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB31729 |
| FooDB: | FDB008392 |
| Export Tariff Code: | 2918.90.6000 |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: grade: fcc (as aldehyde c-16) | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 206.24118041992 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.037 to 9.253 |
| Refractive Index | 1.499 to 1.512 @ 20 °C |
| Boiling Point | 272 to 275°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 0.006 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 1.655 est |
| Shelf life | 12 months (or longer if stored properly.) |
| Storage notes | Refrigerate in tightly sealed containers. |
| Solubility | |
| benzyl alcohol | Yes |
| ethyl alcohol, 1:2 80 % alcohol | Yes |
| ethyl alcohol, 4 parts of 70% alcohol | Yes |
| fixed oils | Yes |
| paraffin oil, slightly | Yes |
| propylene glycol | Yes |
| water, 111.3 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
| Stability | |
| cream | Unspecified |
| detergent powder | Unspecified |
| hair spray | Unspecified |
| household product | Unspecified |
| lotion | Unspecified |
| non-discoloring | Unspecified |
| powder | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Fruity | |
| sweet, fruity, strawberry, floral, honey, fatty | |
| Odor strength | medium |
| Substantivity | 241 hour(s) at 100.00 % |
| Luebke, William tgsc, (1981) | At 100.00 %. sweet fruity strawberry floral honey fatty |
| Mosciano, Gerard P&F 17, No. 1, 41, (1992) | Sweet, fruity strawberry-like with floral honey undertones |
| Flavor Type: Fruity | |
| sweet, berry, strawberry, fruity, tutti frutti, floral | |
| Mosciano, Gerard P&F 17, No. 1, 41, (1992) | At 50.00 ppm. Sweet, berry, strawberry, fruity, tutti frutti and floral nuances |
| General comment | Sweet berry strawberry fruity tutti frutti floral |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Aldehydic , Almond , Angel essence , Apple , Apple green apple , Apple red apple , Apricot , Blackberry , Blueberry , Butterscotch , Cherry , Cherry blossom , Christmas , Citrus , Civet , Cranberry , Cyclamen , Decumaria , Floral , Grape , Hibiscus , Hyacinth , Jasmin , Kiwi , Lilac , Lily , Melon , Mulberry , Orange blossom , Papaya , Passion fruit , Peach , Peach blossom , Pineapple , Plum , Potpourri , Raspberry , Raspberry black raspberry , Rose , Rose absolute replacer , Spice , Strawberry , Valerian , Vanilla , Violet , Zibeline |
| Flavoring purposes | Valerian |
| Other purposes | Warm |
| Cosmetic purposes | Perfuming agents , Viscosity controlling agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European 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. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation | |
| Precautionary statement(s) | |
| P233 - Keep container tightly closed. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash hands thoroughly after handling. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P321 - Specific treatment (see supplemental first aid instructions on this label). P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| 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 | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for strawberry glycidate 1 (aldehyde C-16 (so-called)) 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 |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| Carcinogenic Potency Database: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 |