W350613

2-Methylbutyl isovalerate

natural, ≥98%, FCC, FG

• Synonym(s): 2-Methylbutyl 3-methylbutanoate
• Linear Formula: (CH₃)₂CHCH₂CO₂CH₂CH(CH₃)C₂H₅
• CAS Number: 2445-77-4
• Molecular Weight: 172.26
• FEMA Number: 3506
• EC Number: 219-496-7
• Council of Europe no.: 10772
• MDL number: MFCD00209537
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901747
• Flavis number: 9.531
• NACRES: NA.21

Properties

• grade: FG; Fragrance grade; Halal; Kosher; natural
• Quality Level: 400
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012; FCC; FDA 21 CFR 172.515
• Assay: ≥98%
• refractive index: n20/D 1.414 (lit.)
• bp: 191-195 °C (lit.)
• density: 0.858 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; green; herbaceous; fruity; cheesy; wine-like
• SMILES string: CCC(C)COC(=O)CC(C)C
• InChI: 1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3
• InChI key: CYGPPWVXOWCHJB-UHFFFAOYSA-N

Description

Other Notes

Natural occurrence: Peppermint, Scotch spearmint, sherry and whiskey.

Natural occurrence: Peppermint, Scotch, spearmint, sherry and whiskey

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 143.6 °F - closed cup
• Flash Point(C): 62 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves