Phenethyl isobutyrate
Synonym(s):2-Phenylethyl 2-methylpropanoate;2-Phenylethyl isobutyrate
- CAS NO.:103-48-0
- Empirical Formula: C12H16O2
- Molecular Weight: 192.25
- MDL number: MFCD00026441
- EINECS: 203-116-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-14 14:09:35
What is Phenethyl isobutyrate?
Chemical properties
Colorless to pale yellow liquid
Chemical properties
Phenethyl isobutyrate occurs in peppermint oils. It has a heavy, fruity, blossom odor and is used accordingly in perfume and flavor compositions.
Chemical properties
Phenethyl isobutyrate has a fruity odor and a bittersweet taste reminiscent of unripe plum, pineapple and banana.
Occurrence
Reported found in Scotch spearmint oil, peppermint oil, beer, cognac, rum, cider, olive and smaller galanga.
The Uses of Phenethyl isobutyrate
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.
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
Not classified
Safety Profile
Mildly toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Properties of Phenethyl isobutyrate
Boiling point: | 250 °C (lit.) |
Density | 0.988 g/mL at 25 °C (lit.) |
vapor pressure | 3.626-45Pa at 25℃ |
refractive index | n |
FEMA | 2862 | PHENETHYL ISOBUTYRATE |
Flash point: | 227 °F |
solubility | Insoluble in water |
form | clear liquid |
color | Colorless to light-yellow liquid |
Odor | fruity, rosy odor |
Water Solubility | 51-160mg/L at 20-25℃ |
JECFA Number | 992 |
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 | 2-Phenylethyl isobutyrate (103-48-0) |
Safety information for Phenethyl isobutyrate
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly 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. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for Phenethyl isobutyrate
Abamectin manufacturer
Premier Solvents Pvt. Ltd. (Vijay Ajmera Group)
Mruchem
Arpan Aromatics
S G Arochem Industries
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