Phenol,2-methoxy-4-(1-propenyl)-,acetate
acetyl isoeugenol
CAS: 93-29-8
Molecular Formula: C12H14O3
Phenol,2-methoxy-4-(1-propenyl)-,acetate - Names and Identifiers
| Name | acetyl isoeugenol |
| Synonyms | FEMA 2470 Acetisoeugenol acetyl isoeugenol ISOEUGENYL ACETATE ISO-EUGENOL ACETATE 2-methoxy-4-prop-1-enylphenyl acetate Phenol, 2-methoxy-4-propenyl-, acetate Phenol,2-methoxy-4-(1-propenyl)-,acetate Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate |
| CAS | 93-29-8 |
| EINECS | 202-236-1 |
| InChI | InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+ |
Phenol,2-methoxy-4-(1-propenyl)-,acetate - Physico-chemical Properties
| Molecular Formula | C12H14O3 |
| Molar Mass | 206.24 |
| Density | 1.1492 (rough estimate) |
| Melting Point | 79-81 °C (lit.) |
| Boling Point | 283 °C |
| Flash Point | 153°F |
| JECFA Number | 1262 |
| Solubility | Soluble in ethanol, ether and chloroform, almost insoluble in glycerin and water. |
| Vapor Presure | 0.00324mmHg at 25°C |
| Appearance | White granular crystals. It has a fruity-scented ester aroma and a faint spicy flavor. |
| Color | White crystals |
| Odor | clove odor |
| Storage Condition | -20°C |
| Stability | Hygroscopic, Light Sensitive |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5080 (estimate) |
| MDL | MFCD00026984 |
| Physical and Chemical Properties | White crystal. Like cloves and spices, with a sweet smell of fire. Freezing point 77 ℃, boiling point 282~283 ℃, relative density 1.087. Soluble in ethanol, ether and chloroform, almost insoluble in glycerin and water. |
Phenol,2-methoxy-4-(1-propenyl)-,acetate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 2 |
| RTECS | SL7940000 |
| Toxicity | LD50 orl-rat: 3450 mg/kg FCTXAV 13,681,75 |
Phenol,2-methoxy-4-(1-propenyl)-,acetate - Introduction
Mild and spicy, like carnation, clove aroma, slightly sweet.
Last Update：2022-10-16 17:30:13
Phenol,2-methoxy-4-(1-propenyl)-,acetate - Reference Information
| FEMA | 2470 | ISOEUGENYL ACETATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| assay | was determined by method one in the ester determination method (OT-18). The amount of the sample was 1.4G. The reflux time was changed to 4H, and phenol red test solution (TS-166) was used as an indicator. The equivalence factor (e) in the calculation is taken as 103.1. It is preferable to use the non-polar column method of gas chromatography (GT-10-4). |
| toxicity | ADI 5(CE). LD50 3450 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 0.44; Cold drink 2.1; Candy 17; Baked goods 17; gum 1.0. Moderate limits (FDA § 172.515;2000). |
| Use | GB 2760-1996 permitted use of flavorants. Mainly used in the preparation of raspberry, strawberry, Berry and mixed spices and other flavors. due to the stable nature of aroma, it is used for soap essence. Commonly used in the preparation of floral flavor and herbal flavor of sweet fragrance. It is also commonly used as a fixative of Carnation flavor and French flavor, and a quasi-sum agent of vanillin. The aroma is similar to that of clove. But with rose fragrance and pod-like sweet fragrance. |
| production method | isoeugenol (iso-Euegnol) and acetic anhydride were boiled for 3H in a reaction tank with an air condenser, then the acetic acid and the residual acetic anhydride are distilled off to obtain a solid substance, which is purified by recrystallization from ethanol. From isoeugenol and acetic acid esterification. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50:3450 mg/kg |
| flammability hazard characteristics | flammability; Thermal decomposition releases irritating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| extinguishing agent | dry powder, foam, sand and water |
Last Update：2024-04-10 22:29:15
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