8.22011

Dehydroacetic acid

for synthesis

• Synonym(s): Dehydroacetic acid, 3-Acetyl-3,4-dihydro-6-methyl-2H-pyran-2,4-dione
• Empirical Formula (Hill Notation): C₈H₈O₄
• CAS Number: 520-45-6
• Molecular Weight: 168.15
• MDL number: MFCD00066709
• UNSPSC Code: 12352115
• EC Index Number: 208-293-9
• NACRES: NA.22

Properties

• vapor pressure: 0.001 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥99.0% (acidimetric)
• form: powder
• autoignition temp.: 336 °C
• potency: 1000 mg/kg LD₅₀, oral (Rat)
• pH: 4 (20 °C, 2 g/L in H₂O)
• bp: 270 °C/1013 hPa
• mp: 109-111 °C
• transition temp: flash point 157 °C
• bulk density: 700 kg/m³
• storage temp.: 2-30°C
• SMILES string: O1C(=CC(=O)C(C1=O)C(=O)C)C
• InChI: 1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
• InChI key: PGRHXDWITVMQBC-UHFFFAOYSA-N

Description

Analysis Note

Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 109 °C
Melting range (upper value): ≤ 112 °C
Identity (IR): passes test

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Precautionary Statements: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 1
• Flash Point(F): 314.6 °F
• Flash Point(C): 157 °C