FEMA 2862
phenethyl isobutyrate
CAS: 103-48-0
Molecular Formula: C12H16O2
FEMA 2862 - Names and Identifiers
| Name | phenethyl isobutyrate |
| Synonyms | FEMA 2862 phenethyl isobutyrate Phenethyl isobutanoate 2-Phenethyl isobutyrate B-PHENYLETHYL ISOBUTYRATE Benzylcarbinyl isobutyrate benzylcarbinyl isobutyrate Phenethyl 2-methylpropanoate BETA PHENYL ETHYL ISOBUTYRATE isobutyricacid,phenethylester 2-phenylethyl 2-methylpropanoate Benzylcarbinyl 2-methylpropanoate |
| CAS | 103-48-0 |
| EINECS | 203-116-1 |
| InChI | InChI=1/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
FEMA 2862 - Physico-chemical Properties
| Molecular Formula | C12H16O2 |
| Molar Mass | 192.25 |
| Density | 0.988 g/mL at 25 °C (lit.) |
| Boling Point | 250 °C (lit.) |
| Flash Point | 227°F |
| JECFA Number | 992 |
| Water Solubility | 51-160mg/L at 20-25℃ |
| Solubility | Insoluble in water |
| Vapor Presure | 3.626-45Pa at 25℃ |
| Appearance | clear liquid |
| Color | Colorless to light-yellow liquid |
| Odor | fruity, rosy odor |
| Refractive Index | n20/D 1.4873(lit.) |
| Physical and Chemical Properties | Colorless to light yellow liquid. It is fragrant like green aroma, fruit and rose. Boiling point 23 ° C soluble in ethanol, ether and most non-volatile oils, a few do not dissolve in water. Natural products are found in, for example, alcohol, beer, and cider. |
FEMA 2862 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | NQ5435000 |
| HS Code | 29156000 |
| Toxicity | LD50 orl-rat: 5200 mg/kg FCTXAV 16,637,78 |
FEMA 2862 - Reference Information
| FEMA | 2862 | PHENETHYL ISOBUTYRATE |
| LogP | 3.5 at 35℃ |
| 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 assay (OT-18). The amount of the sample was 1.2g. The equivalence factor (e) in the calculation is taken as 96.13. Or according to Gas chromatography (GT-10-4) using non-polar column method. |
| toxicity | GRAS(FEMA). LD50 5200mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): Soft drink 3.4; Cold drink 4.0; Candy 13; Baked goods 11. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-1996 specifies the permitted use of spices. Mainly used in the preparation of pineapple, strawberry, plum, fruit and jasmine flavor and wine flavor. |
| production method | is obtained by esterification of phenethyl alcohol with isobutyric acid. |
Last Update：2024-04-09 21:04:16
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