8.14926

Methyl heptanoate

for synthesis

• Synonym(s): Methyl heptanoate, Methyl enanthate, Heptanoic acid methyl ester
• Empirical Formula (Hill Notation): C₈H₁₆O₂
• CAS Number: 106-73-0
• Molecular Weight: 144.21
• UNSPSC Code: 12352108
• EC Index Number: 203-428-8
• NACRES: NA.22
• MDL number: MFCD00009537

Properties

• Quality Level: 200
• assay: ≥98.0% (GC)
• form: liquid
• potency: >5000 mg/kg LD₅₀, oral (Rat), >5000 mg/kg LD₅₀, skin (Rabbit)
• bp: 173 °C/1013 hPa
• mp: -56 °C
• transition temp: flash point 57 °C
• density: 0.880 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(C)C(=O)CCCCCC
• InChI: 1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3
• InChI key: XNCNNDVCAUWAIT-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.878 - 0.882
Identity (IR): passes test

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 125.6 °F - closed cup
• flash_point_c: 52 °C - closed cup