W246301

Ethyl isovalerate

≥98%, FCC, FG

• Synonym(s): 3-methyl butanoic acid ethyl ester, Ethyl 3-methyl butyrate, Ethyl 3-methylbutanoate
• Linear Formula: (CH₃)₂CHCH₂COOC₂H₅
• CAS Number: 108-64-5
• Molecular Weight: 130.18
• FEMA Number: 2463
• Beilstein/REAXYS Number: 1744677
• EC Number: 203-602-3
• Council of Europe no.: 442
• MDL number: MFCD00009203
• UNSPSC Code: 12164502
• eCl@ss: 39022323
• PubChem Substance ID: 24901110
• Flavis number: 9.447
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• agency: (EU Regulation 1223/2009); (follows IFRA guidelines); meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• vapor pressure: 7.5 mmHg ( 20 °C)
• assay: ≥98%
• refractive index: n20/D 1.396 (lit.)
• bp: 131-133 °C (lit.)
• mp: −99 °C (lit.)
• density: 0.864 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: no known allergens
• organoleptic: apple; fruity; pineapple; sweet
• SMILES string: CCOC(=O)CC(C)C
• InChI: 1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
• InChI key: PPXUHEORWJQRHJ-UHFFFAOYSA-N

Description

General description

Ethyl isovalerate is a flavor ester that occurs naturally in fruits such as pineapple, banana etc.

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 80.6 °F - closed cup
• flash_point_c: 27 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter