8.14724

Isoamyl butyrate

for synthesis

• Sinónimos: Isoamyl butyrate, Butyric acid (3-methylbutyl ester)
• Fórmula lineal: CH₃CH₂CH₂COOCH₂CH₂CH(CH₃)₂
• Número CAS: 106-27-4
• Peso molecular: 158.24
• UNSPSC Code: 12352108
• EC Index Number: 203-380-8
• NACRES: NA.22
• MDL number: MFCD00044888

Propiedades

• vapor pressure: 1.1 hPa ( 20 °C)
• Quality Segment: 200
• assay: ≥98.0% (GC)
• form: liquid
• potency: >5000 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• mp: -73 °C
• transition temp: flash point 59 °C
• solubility: 0.5 g/L
• density: 0.88 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(CCC(C)C)C(=O)CCC
• InChI: 1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
• InChI key: PQLMXFQTAMDXIZ-UHFFFAOYSA-N

Descripción

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.860 - 0.864
Identity (IR): passes test

Información de seguridad

• pictograms: GHS02
• signalword: Warning
• pcodes: P210 - P233 - P240 - P241 - P242 - P273
• Hazard Classifications: Aquatic Chronic 3 - Flam. Liq. 3
• Clase de almacenamiento: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 138.2 °F
• flash_point_c: 59 °C
• hcodes: H226,H412