3-Phenylpropylisobutyrate , 95+% , 103-58-2

Synonym(s):
3-Phenylpropyl 2-methylpropanoate;Hydrocinnamyl isobutyrate

CAS NO.：103-58-2

Empirical Formula: C13H18O2

Molecular Weight: 206.28

MDL number: MFCD00082227

EINECS: 203-125-0

PRODUCT Properties

• Melting point: -60 °C
• Boiling point: 282 °C (lit.)
• Density: 0.979 g/mL at 25 °C (lit.)
• FEMA: 2893 | 3-PHENYLPROPYL ISOBUTYRATE
• refractive index: n20/D 1.486(lit.)
• Flash point: >230 °F
• solubility: Almost insoluble in water, soluble in alcohol and oils
• form: clear liquid
• color: Colorless to Almost colorless
• Odor: Fruity-balsamic, tenacious, but refreshingly sweet odor
• biological source: synthetic
• Odor Type: fruity
• JECFA Number: 640
• Major Application: flavors and fragrances
• Cosmetics Ingredients Functions: PERFUMING
• InChI: 1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
• InChIKey: VBTAKMZSMFMLGT-UHFFFAOYSA-N
• SMILES: CC(C)C(=O)OCCCc1ccccc1
• LogP: 3.75
• CAS DataBase Reference: 103-58-2
• EPA Substance Registry System: 3-Phenylpropyl isobutyrate (103-58-2)

Description and Uses

3-Phenylpropyl isobutyrate finds some use in Jasmin compositions, partly as a modifier for Benzyl-isobutyrate, partly as a supporting note for fruity-balsarnic ingredients. It works well with Styrax, which tends to produce a rather "dead" note in floral compositions.
3-Phenylpropyl isobutyrate also finds use in flavor compositions, mainly in imitation Apple, Apricot, Peach, Pear, Pineapple, Plum, Quince, etc. and the concentration used is equivalent to about 1 to 5 ppm in the finished product.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338
• PPE: Eyeshields, Gloves
• Safety Statements: 24/25
• WGK Germany: 2
• RTECS: NQ5440000
• TSCA: TSCA listed
• HS Code: 2915.90.2000
• Storage Class: 10 - Combustible liquids