158984

1,3-Diacetylbenzene

97%

• Synonym(s): 1,1′-(1,3-Phenylene)bis[ethanone], 1,3-Bis(1-oxoethyl)benzene, 1-(3-Acetylphenyl)ethanone, 2,6-Diacetylbenzene, 3-Acetylacetophenone, m-Acetylacetophenone, m-Diacetylbenzene
• Linear Formula: C₆H₄(COCH₃)₂
• CAS Number: 6781-42-6
• Molecular Weight: 162.19
• Beilstein: 2042511
• EC Number: 229-842-9
• MDL number: MFCD00008740
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849782
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 97%
• form: crystals
• bp: 150-155 °C/15 mmHg (lit.)
• mp: 28-32 °C (lit.)
• functional group: ketone
• storage temp.: 2-8°C
• SMILES string: CC(=O)c1cccc(c1)C(C)=O
• InChI: 1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
• InChI key: VCHOFVSNWYPAEF-UHFFFAOYSA-N

Description

General description

1,3-Diacetylbenzene is an δ-diketone. It induces neuropathological changes in the rodent central and peripheral nervous systems.

Application

1,3-Diacetylbenzene was used in the preparation of polyhydroxylated analogs.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves