| Identification | More | [Name]
3-BENZYLIDENE-2,4-PENTANEDIONE | [CAS]
4335-90-4 | [Synonyms]
3-BENZYLIDENE-2,4-PENTANEDIONE
(2,2-diacetylvinyl)benzene
1,1-Diacetyl-2-phenylethylene
2,4-Pentanedione, 3-(phenylmethylene)-
2,4-Pentanedione, 3-benzylidene-
2-Acetyl-1-phenyl but-1-en-3-one
3-(phenylmethylene)-4-pentanedione
3-benzylidene-4-pentanedione
3-Benzylideneacetylacetone
Benzalacetylacetone
Benzylidene acetylacetone
3-Acetyl-4-phenyl-3-buten-2-one~(2-Benzylidene)acetylacetone
3-(phenylmethylene)pentane-2,4-dione
(2-benzylidene)acetylacetone
3-acetyl-4-phenyl-3-buten-2-one
3-Benzylidenepentane-2,4-Dione | [EINECS(EC#)]
224-382-5 | [Molecular Formula]
C12H12O2 | [MDL Number]
MFCD00014990 | [Molecular Weight]
188.22 | [MOL File]
4335-90-4.mol |
| Chemical Properties | Back Directory | [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.)
| [Fp ]
>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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
SA1930000
| [TSCA ]
Yes | [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, |
| Hazard Information | Back Directory | [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.
| [Synthesis Reference(s)]
Synthetic Communications, 26, p. 3025, 1996 DOI: 10.1080/00397919608004607 | [General Description]
3-Benzylidene-2,4-pentanedione (BPD) can be prepared by reacting benzaldehyde with 2,4-pentanedione in the presence of a base. |
|
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