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158984

1,3-Diacetylbenzene

Name: 1,3-Diacetylbenzene
Brand: ALDRICH

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

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About This Item

Linear Formula:

C₆H₄(COCH₃)₂

CAS Number:

6781-42-6

Molecular Weight:

162.19

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24849782

EC Number:

229-842-9

Beilstein/REAXYS Number:

2042511

MDL number:

MFCD00008740

Assay:

97%

Form:

crystals

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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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

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Amino acid and protein targets of 1,2-diacetylbenzene, a potent aromatic gamma-diketone that induces proximal neurofilamentous axonopathy.

Min-Sun Kim et al.

Toxicology and applied pharmacology, 183(1), 55-65 (2002-09-10)

The gamma-diketone analogs 1,2-diacetylbenzene (1,2-DAB) and 2,5-hexanedione (2,5-HD), but not the delta-diketone 1,3-diacetylbenzene (1,3-DAB) or the beta-diketone 2,4-hexanedione, induce neuropathological changes in the rodent central and peripheral nervous systems. The molecular targets of these neurotoxic aromatic and aliphatic gamma-diketones, and

Geometrically and conformationally restrained cinnamoyl compounds as inhibitors of HIV-1 integrase: synthesis, biological evaluation, and molecular modeling.

M Artico et al.

Journal of medicinal chemistry, 41(21), 3948-3960 (1998-10-10)

Various cinnammoyl-based structures were synthesized and tested in enzyme assays as inhibitors of the HIV-1 integrase (IN). The majority of compounds were designed as geometrically or conformationally constrained analogues of caffeic acid phenethyl ester (CAPE) and were characterized by a

Identification and application of bacterial volatiles to attract a generalist aphid parasitoid: from laboratory to greenhouse assays.

Tim Goelen et al.

Pest management science, 77(2), 930-938 (2020-09-26)

Recent studies have shown that microorganisms emit volatile compounds that affect insect behaviour. However, it remains largely unclear whether microbes can be exploited as a source of attractants to improve biological control of insect pests. In this study, we used

Global Trade Item Number

SKU	GTIN
158984-10G	04061838744296