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Acetoacetaldehyde
[CAS# 625-34-3]

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Identification
Name Acetoacetaldehyde
Synonyms Biacetyl; Zinc01532732; 2,3-Butandione
Molecular Structure CAS#: 625-34-3, Acetoacetaldehyde
Molecular Formula C4H6O2
Molecular Weight 86.09
CAS Registry Number 625-34-3
SMILES CC(C(C)=O)=O
InChI 1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChIKey QSJXEFYPDANLFS-UHFFFAOYSA-N
Properties
Density 20 (Expl.)
1.0±0.1g/cm3 (Cal.)
Melting point -2--4°C (Expl.)
Boiling point 87.999°C at 760 mmHg (Cal.)
87-88°C (Expl.)
Flash point 5.5±4.4°C (Cal.)
6°C (Expl.)
Refractive index 1.395 (Expl.)
Safety Data
Safety Code S16;S26;S36/37  Details
Risk Code R11;R20/22;R36/38  Details
Hazard Symbol symbol  symbol  X;F  Details
Transport Information UN2346
Safety Description DANGER: FLAMMABLE, irritates skin and eyes
Safety glasses, adequate ventilation.
References
(1) Yan-Feng Yue, En-Qing Gao, Chen-Jie Fang, Tao Zheng, Jue Liang and Chun-Hua Yan. The crystal structures of four azido-bridged Zn(ii) complexes based on open-chain diazine Schiff-base ligands, CrystEngComm, 2008, 10, 614.
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