8.14927

Methyl octanoate

for synthesis

• 동의어(들): Methyl octanoate, Methyl caprylate
• 실험식(Hill 표기법): C₉H₁₈O₂
• CAS Number: 111-11-5
• Molecular Weight: 158.24
• MDL number: MFCD00009551
• UNSPSC 코드: 12352108
• EC 인덱스 번호: 203-835-0
• NACRES: NA.22

속성

• vapor pressure: 1.33 hPa ( 34.2 °C)
• Quality Level: 200
• 분석: ≥98.0% (GC)
• 양식: liquid
• 효능: >2000 mg/kg LD₅₀, oral (Rat)
• bp: 193 °C/1013 hPa
• mp: -40 °C
• 전이 온도: flash point 68 °C
• density: 0.877 g/cm³ at 20 °C
• 저장 온도: 2-30°C
• SMILES string: O(C)C(=O)CCCCCCC
• InChI: 1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
• InChI key: JGHZJRVDZXSNKQ-UHFFFAOYSA-N

설명

분석 메모

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.874 - 0.878
Identity (IR): passes test

안전성 정보

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point (°F): 179.6 °F - closed cup
• Flash Point (°C): 82 °C - closed cup