8.18694

Allyl acetoacetate

for synthesis

• Synonym(s): Allyl acetoacetate, Acetoacetic acid allyl ester
• Linear Formula: CH₃COCH₂COOCH₂CH=CH₂
• CAS Number: 1118-84-9
• Molecular Weight: 142.15
• MDL number: MFCD00009811
• UNSPSC Code: 12352108
• EC Index Number: 214-269-9
• NACRES: NA.22

Properties

• vapor pressure: 0.2 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥95.0% (GC)
• autoignition temp.: 300 °C
• potency: 259 mg/kg LD₅₀, oral (Rat); 266 mg/kg LD₅₀, skin (Rat)
• expl. lim.: 1.15 % (v/v)
• pH: 3.7 (20 °C, 48 g/L in H₂O)
• bp: 87-91 °C/13 hPa
• mp: <-70 °C
• transition temp: flash point 67 °C
• solubility: 48 g/L
• density: 1.038 g/cm³ at 20 °C
• storage temp.: 2-30°C
• InChI: 1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
• InChI key: AXLMPTNTPOWPLT-UHFFFAOYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 95.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.036 - 1.041
Identity (IR): passes test

Safety Information

• Pictograms: GHS06
• Signal Word: Danger
• Hazard Statements: H301 + H311 - H315
• Precautionary Statements: P264 - P280 - P301 + P310 - P302 + P352 + P312 - P332 + P313 - P361 + P364
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Skin Irrit. 2
• Storage Class Code: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1
• Flash Point(F): 152.6 °F - closed cup
• Flash Point(C): 67 °C - closed cup