3-Benzylidene-2,4-pentanedione , 97 , 4335-90-4

CAS NO.：4335-90-4

Empirical Formula: C12H12O2

Molecular Weight: 188.22

MDL number: MFCD00014990

EINECS: 224-382-5

PRODUCT Properties

• Melting point: 169 °C
• Boiling point: 185-188 °C/15 mmHg (lit.)
• Density: 1.081 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.583(lit.)
• Flash point: >230 °F
• storage temp.: Storage temp. 2-8°C
• form: liquid
• Specific Gravity: 1.081
• Appearance: Light yellow to yellow Liquid
• BRN: 972849
• InChI: 1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
• InChIKey: NYRGMNMVISROGJ-UHFFFAOYSA-N
• SMILES: CC(=O)\C(=C\c1ccccc1)C(C)=O
• CAS DataBase Reference: 4335-90-4(CAS DataBase Reference)
• EPA Substance Registry System: 2,4-Pentanedione, 3-(phenylmethylene)- (4335-90-4)

Description and Uses

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

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• target organs: Respiratory system
• PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• RTECS: SA1930000
• TSCA: TSCA listed
• HS Code: 2914390090
• Storage Class: 10 - Combustible liquids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2; STOT SE 3
• Toxicity: mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08898,