W229709

Cinnamyl isobutyrate

≥97%, FCC, FG

• Synonym(s): Cinnamyl 2-methylpropanoate, Isobutyric acid cinnamyl ester
• Linear Formula: (CH₃)₂CHCO₂CH₂CH=CHC₆H₅
• CAS Number: 103-59-3
• Molecular Weight: 204.26
• FEMA Number: 2297
• EC Number: 203-126-6
• Council of Europe no.: 496
• MDL number: MFCD00048316
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900960
• Flavis number: 9.470
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• Assay: ≥97%
• composition: contains IFRA restricted cinnamal, benzyl alcohol, cinnamyl alcohol
• refractive index: n20/D 1.524 (lit.)
• bp: 254 °C (lit.)
• density: 1.008 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: benzyl alcohol, cinnamyl alcohol, cinnamal
• Organoleptic: fruity; balsamic; sweet
• SMILES string: CC(C)C(=O)OC\C=C\c1ccccc1
• InChI: 1S/C13H16O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+
• InChI key: KLKQSZIWHVEARN-RMKNXTFCSA-N

Description

General description

Cinnamyl isobutyrate is an α,β-unsaturated ester that can be used as a flavoring agent and a fragrance ingredient.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves