3-methyl-3-phenyloxiranecarboxylic acid ethyl ester
Ethyl methylphenylglycidate
CAS: 77-83-8
Molecular Formula: C12H14O3
3-methyl-3-phenyloxiranecarboxylic acid ethyl ester - Names and Identifiers
3-methyl-3-phenyloxiranecarboxylic acid ethyl ester - Physico-chemical Properties
| Molecular Formula | C12H14O3 |
| Molar Mass | 206.24 |
| Density | 1.087g/mLat 25°C(lit.) |
| Melting Point | 33.0 -38.0℃ |
| Boling Point | 272-275°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 1577 |
| Vapor Presure | 0.00571mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Light orange to Yellow |
| BRN | 12299 |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.505(lit.) |
| Physical and Chemical Properties | Colorless to light yellow liquid with strong strawberry fruit aroma. Boiling point 260 °c. Soluble in ethanol, ether, can be miscible with diethyl phthalate, insoluble in water and glycerol. Rat oral LD505.47g/kg,ADI 0~0.5mg/kg(FAO/WHO,1996). |
3-methyl-3-phenyloxiranecarboxylic acid ethyl ester - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 2 |
| RTECS | MW5250000 |
| TSCA | Yes |
| HS Code | 29189090 |
| Toxicity | LD50 orally in Rabbit: 5470 mg/kg |
3-methyl-3-phenyloxiranecarboxylic acid ethyl ester - Nature
Open Data Verified Data
colorless to light yellow liquid with strong strawberry fruit aroma. Boiling point 260 °c. Soluble in ethanol, ether. Miscible with diethyl phthalate, insoluble in water and glycerol.
Last Update：2024-01-02 23:10:35
3-methyl-3-phenyloxiranecarboxylic acid ethyl ester - Hair-making
Open Data Verified Data
The acetophenone is condensed with ethyl chloroacetate in the presence of sodium ethoxide or sodium amino acid, neutralized, washed with water, separated, and distilled under reduced pressure.
Last Update：2022-01-01 10:07:40
3-methyl-3-phenyloxiranecarboxylic acid ethyl ester - Use
Open Data Verified Data
for the preparation of cherry, grape, apple, strawberry and other fruit-based food flavor. The dosage of gum is 470mg/kg; 5.6mg/kg in soft drink; 21mg/kg in candy; 18mg/kg in baked food; 13mg/kg in pudding; 6.7 mg/kg in cold drinks.
Last Update：2022-01-01 10:07:41
3-methyl-3-phenyloxiranecarboxylic acid ethyl ester - Reference Information
| FEMA | 2444 | ETHYL METHYLPHENYLGLYCIDATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | method 1 approximately 1g of a sample is weighed precisely and determined by Method 1 in the ester determination method (OT-18). The equivalence factor (e) in the calculation is taken as 103.1. Methods two by gas chromatography (GT-10-4) determination. The conditions were: column 1.6 m x internal diameter glass column. The filler is to improve the past polyethylene glycol 20M(SPl000)4%, the carrier is diatomite carrier. Gas is helium or nitrogen; Flow rate 50ml/min. The detector was used with an FID and the operating temperature was 250 °c. Column temperature: Isothermal section about 200 deg C; Sample temperature of about 225 deg C. A sample of 1.0 μl was taken and injected into the gas chromatograph. The resulting chromatogram had two main peaks that were essentially equal in height, two isomers of cis-and-myricetin, with several shorter peaks around them., The content of chimonaldehyde can be determined from the height or Peak area of the peaks of the cis-and trans-isomers. |
| toxicity | Adl 0-0.5mg/kg(FAO/WHO,1994). GRAS(FDA,182.60,2000)LD50 5470mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 5.6; Cold drinks 6.7 candy 21; Baked goods 18; pudding 13; Gum 470 |
| Use | strawberry aldehyde is a food Spice temporarily allowed to be used in China's "health standards for the use of food additives, mainly used in the preparation of cherry, grape, apple, strawberry and other fruit-based food flavor. The dosage of gum is 470mg/kg; 5.6mg/kg in soft drinks, 21mg/kg in candy; 18mg/kg in baked food; 13mg/kg in pudding; 6.7 mg/kg in cold drinks. for the deployment of daily chemical flavor and feed flavor In the Daily flavor, in the edible flavor is often used GB 2760 a 96 provisions for the temporary use of edible spices. Mainly used in the preparation of strawberry, cherry, apple flavor, and often with the use of fourteen aldehyde. This product has a strong red bayberry flavor, usually used as a blending raw material of Red Bayberry flavor after dilution, and also used in cosmetics, when blending rose, Hyacinth and cyclamen and other cosmetics, add trace amounts of this product can produce special effects. |
| production method | This product is non-synthetic, which is composed of acetophenone and ethyl chloroacetate condensed in the presence of sodium ethoxide, that is, it was prepared by Claisen reaction. Based on acetophenone, the yield is about 40%. add fine powder sodium amino acid to benzene (or xylene) mixture of phenylacetone and ethyl chloroacetate with stirring, keep at 15-20 ℃ for 4 hours, add ice, the oil layer was obtained by vacuum distillation after washing. The product is obtained by condensation of ethyl chloroacetate with acetophenone in the presence of sodium amino acid or sodium ethoxide, neutralization, washing with water and separation after completion of the reaction, followed by atmospheric distillation and then distillation under reduced pressure. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-06-20 15:49:28
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