W289302

3-Phenylpropyl isobutyrate

≥98%, FG

• Synonym(s): 3-Phenylpropyl 2-methylpropanoate, Hydrocinnamyl isobutyrate
• Linear Formula: (CH₃)₂CHCO₂(CH₂)₃C₆H₅
• CAS Number: 103-58-2
• Molecular Weight: 206.28
• FEMA Number: 2893
• EC Number: 203-125-0
• Council of Europe no.: 303
• MDL number: MFCD00082227
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901380
• Flavis number: 9.428
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 172.515
• assay: ≥98%
• refractive index: n20/D 1.486 (lit.)
• bp: 282 °C (lit.)
• density: 0.979 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: balsam; fruity; sweet
• SMILES string: CC(C)C(=O)OCCCc1ccccc1
• 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
• InChI key: VBTAKMZSMFMLGT-UHFFFAOYSA-N

Description

General description

3-Phenylpropyl isobutyrate belongs to the cinnamyl phenylpropyl group of fragrance materials. It is the key volatile constituent of Roman camomile essential oil.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves