| Identification | More | [Name]
Phenethyl isobutyrate | [CAS]
103-48-0 | [Synonyms]
Benzylcarbinyl 2-methylpropanoate
benzylcarbinyl isobutyrate
BETA PHENYL ETHYL ISOBUTYRATE
B-PHENYLETHYL ISOBUTYRATE
FEMA 2862
PHENETHYL ISOBUTYRATE
PHENYLETHYL ISOBUTYRATE
2-methyl-propanoicaci2-phenylethylester
2-methylpropanoicacidphenylethylester
2-Phenylethyl 2-methylpropionate
2-Phenylethyl isobutyrate
2-phenylethyl2-methylpropionate
2-phenylethylisobutyrate
Benzylcarbinol isobutyrate
benzylcarbinolisobutyrate
Isobutyric acid, phenethyl ester
isobutyricacid,phenethylester
Phenethyl 2-methylpropanoate
Phenethyl isobutanoate
phenylethyl 2-methylpropanoate | [EINECS(EC#)]
203-116-1 | [Molecular Formula]
C12H16O2 | [MDL Number]
MFCD00026441 | [Molecular Weight]
192.25 | [MOL File]
103-48-0.mol |
| Chemical Properties | Back Directory | [Boiling point ]
250 °C (lit.) | [density ]
0.988 g/mL at 25 °C(lit.)
| [vapor pressure ]
3.626-45Pa at 25℃ | [FEMA ]
2862 | [refractive index ]
n20/D 1.4873(lit.)
| [Fp ]
227 °F
| [solubility ]
Insoluble in water | [form ]
clear liquid | [color ]
Colorless to light-yellow liquid | [Odor]
fruity, rosy odor | [Odor Type]
floral | [Water Solubility ]
51-160mg/L at 20-25℃ | [JECFA Number]
992 | [LogP]
3.5 at 35℃ | [Uses]
Phenylethyl Isobutyrate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid of fruity odor of floral note. It is soluble in alcohol and practically insoluble in water. It should be stored in glass or tin-lined containers. It is used in flavors for peach with applications in beverages, ice cream, candy, and baked goods at 3–13 ppm. | [CAS DataBase Reference]
103-48-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanoic acid, 2-methyl-, 2-phenylethyl ester(103-48-0) | [EPA Substance Registry System]
103-48-0(EPA Substance) |
| Safety Data | Back Directory | [Safety Statements ]
24/25 | [WGK Germany ]
2
| [RTECS ]
NQ5435000
| [HS Code ]
29156000 | [Safety Profile]
Mildly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. | [Toxicity]
LD50 orl-rat: 5200 mg/kg FCTXAV 16,637,78 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to pale yellow liquid | [Chemical Properties]
Phenethyl isobutyrate has a fruity odor and a bittersweet taste reminiscent of unripe plum, pineapple and banana. | [Chemical Properties]
Phenethyl isobutyrate occurs in peppermint oils. It has a heavy, fruity, blossom odor and is used accordingly
in perfume and flavor compositions. | [Occurrence]
Reported found in Scotch spearmint oil, peppermint oil, beer, cognac, rum, cider, olive and smaller galanga. | [Definition]
ChEBI: A carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid. | [Preparation]
By esterification of phenethyl alcohol with n-hexanoic acid. | [Taste threshold values]
Taste characteristics at 2.5 ppm: floral, waxy, green and rosy with winey, grape and berry nuances. | [Synthesis Reference(s)]
Tetrahedron Letters, 36, p. 3997, 1995 DOI: 10.1016/0040-4039(95)00697-B | [General Description]
Phenethyl isobutyrate belongs to the fragrance structural group, Aryl Alkyl Alcohol Simple Acid Esters (AAASAE). It is reported as a fragrance ingredient. Toxicologic and dermatologic review on phenethyl isobutyrate has been reported. | [Flammability and Explosibility]
Notclassified |
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