W350001

Hexyl 3-methylbutanoate

≥99%

• Linear Formula: (CH₃)₂CHCH₂CO₂(CH₂)₅CH₃
• CAS Number: 10032-13-0
• Molecular Weight: 186.29
• FEMA Number: 3500
• EC Number: 233-105-7
• Council of Europe no.: 10692
• MDL number: MFCD00048883
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901741
• Flavis number: 9.529
• NACRES: NA.21

Properties

• biological source: synthetic
• Assay: ≥99%
• refractive index: n20/D 1.418 (lit.)
• bp: 215 °C (lit.)
• density: 0.857 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: apple; green; fruity; sweet
• SMILES string: CCCCCCOC(=O)CC(C)C
• InChI: 1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3
• InChI key: RSDDTPVXLMVLQE-UHFFFAOYSA-N

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 190.4 °F - closed cup
• Flash Point(C): 88 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves