8.14990

Allyl hexanoate

for synthesis

• Synonym(s): Allyl hexanoate, Allyl caproate, Hexanoic acid allyl ester, Caproic acid allyl ester
• Empirical Formula (Hill Notation): C₉H₁₆O₂
• CAS Number: 123-68-2
• Molecular Weight: 156.22
• MDL number: MFCD00038339
• UNSPSC Code: 12352108
• EC Index Number: 204-642-4
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: ≥98.0% (GC)
• form: liquid
• potency: 218 mg/kg LD₅₀, oral (Rat); 300 mg/kg LD₅₀, skin (Rabbit)
• transition temp: flash point 74 °C
• density: 0.887 g/cm³ at 25 °C
• storage temp.: 2-30°C
• InChI: 1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
• InChI key: RCSBILYQLVXLJG-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.888 - 0.892
Identity (IR): passes test

Safety Information

• pictograms: GHS06,GHS09
• signalword: Danger
• hcodes: H301 + H311 - H411
• pcodes: P264 - P273 - P280 - P301 + P310 - P302 + P352 + P312 - P361 + P364
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2
• Storage Class: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 2
• flash_point_f: 150.8 °F - closed cup
• flash_point_c: 66 °C - closed cup