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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 |