544418

3-Benzylidene-2,4-pentanedione

97%

• Linear Formula: CH₃COC(=CHC₆H₅)COCH₃
• CAS Number: 4335-90-4
• Molecular Weight: 188.22
• EC Number: 224-382-5
• MDL number: MFCD00014990
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878761
• NACRES: NA.22

Properties

• assay: 97%
• refractive index: n20/D 1.583 (lit.)
• bp: 185-188 °C/15 mmHg (lit.)
• density: 1.081 g/mL at 25 °C (lit.)
• SMILES string: CC(=O)\C(=C\c1ccccc1)C(C)=O
• InChI: 1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
• InChI key: NYRGMNMVISROGJ-UHFFFAOYSA-N

Description

General description

3-Benzylidene-2,4-pentanedione (BPD) can be prepared by reacting benzaldehyde with 2,4-pentanedione in the presence of a base.

Application

3-Benzylidene-2,4-pentanedione may be used in the preparation of:

• Five membered cyclic oxyphosphoranes by reacting with phosphonite esters.
• 5-Hydroxy-N-substituted-2H-pyrrol-2-ones by reacting with alkyl isocyanides.
• 3-Benzylidene-2,4-bis (trimethylsilyloxy)-1,4-pentadiene via trimethylsilylation.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: >230.0 °F - closed cup
• flash_point_c: > 110 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter