4335-90-4

Name 3-BENZYLIDENE-2,4-PENTANEDIONE
CAS 4335-90-4
EINECS(EC#) 224-382-5
Molecular Formula C12H12O2
MDL Number MFCD00014990
Molecular Weight 188.22
MOL File 4335-90-4.mol
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Chemical 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.)
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

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,

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