8.14992

Hexyl butyrate

for synthesis

• Synonym(e): Hexyl butyrate, Butyric acid hexyl ester, Hexyl butanoate
• Empirische Formel (Hill-System): C₁₀H₂₀O₂
• CAS-Nummer: 2639-63-6
• Molekulargewicht: 172.26
• UNSPSC Code: 12352108
• EC Index Number: 220-136-6
• NACRES: NA.22
• MDL number: MFCD00048884

Eigenschaften

• Quality Segment: 200
• assay: ≥98.0% (GC)
• potency: >5000 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• mp: -78 °C
• transition temp: flash point 83 °C
• density: 0.865 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(CCCCCC)C(=O)CCC
• InChI: 1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
• InChI key: XAPCMTMQBXLDBB-UHFFFAOYSA-N

Beschreibung

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.862 - 0.867
Identity (IR): passes test

Sicherheitshinweise

• Lagerklasse: 10 - Combustible liquids
• wgk: WGK 2
• flash_point_f: 177.8 °F - closed cup
• flash_point_c: 81 °C - closed cup