1,3-Diphenylpropane-1,3-dione

Modify Date: 2026-07-03 19:27:06

1,3-Diphenylpropane-1,3-dione structure	Common Name	1,3-Diphenylpropane-1,3-dione
	CAS Number	120-46-7	Molecular Weight	224.255
	Density	1.1±0.1 g/cm3	Boiling Point	357.4±0.0 °C at 760 mmHg
	Molecular Formula	C₁₅H₁₂O₂	Melting Point	77-79 °C(lit.)
	MSDS	Chinese USA	Flash Point	146.9±20.2 °C

Use of 1,3-Diphenylpropane-1,3-dione

Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].

Name	dibenzoylmethane
Synonym	More Synonyms

Description	Dibenzoylmethane, a minor ingredient in licorice, activates Nrf2 and prevents various cancers and oxidative damage. Dibenzoylmethane, an analog of curcumin, results in dissociation from Keap1 and nuclear translocation of Nrf2[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> NF-κB >> Keap1-Nrf2 Research Areas >> Metabolic Disease
In Vitro	Dibenzoylmethane (10, 20, 30, 40, 50 μM; 6 hours) treatment concentration-dependently increases the mRNA level of HO-1 but has no effect on the mRNA level of Nrf2 in HepG2 cells. Dibenzoylmethane induces HO-1 and Nrf2 protein expression, and the induction diminishes after 12 h[1]. Dibenzoylmethane (10, 20, 30, 40, 50 μM; 2 hours) concentration-dependently increases the phosphorylated protein levels of Erk1/2, p38MAPK, JNK, AMPK, and Akt in HepG2 cells.Dibenzoylmethane does not show significant cytotoxicity[1].
In Vivo	Dibenzoylmethane (200, 500 mg/kg/day; ip; for three consecutive days) pretreatment significantly reduces both the area and the severity of necrosis, as well as the leukocyte infiltration, at a dose of 200 mg/kg in wild-type and Nrf2 knockout mice[1]. Dibenzoylmethane protectes against CCl4-induced (1:49,v/v, 10 ml/kg) liver damage in wild-type mice[1].
References	[1]. Mingnan Cao, et al. Dibenzoylmethane Protects Against CCl4-Induced Acute Liver Injury by Activating Nrf2 via JNK, AMPK, and Calcium Signaling. AAPS J. 2017 Nov;19(6):1703-1714.

Density	1.1±0.1 g/cm3
Boiling Point	357.4±0.0 °C at 760 mmHg
Melting Point	77-79 °C(lit.)
Molecular Formula	C₁₅H₁₂O₂
Molecular Weight	224.255
Flash Point	146.9±20.2 °C
Exact Mass	224.083725
PSA	34.14000
LogP	3.04
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.584
InChIKey	NZZIMKJIVMHWJC-UHFFFAOYSA-N
SMILES	O=C(CC(=O)c1ccccc1)c1ccccc1
Storage condition	Store at RT.
Stability	Stable. Incompatible with strong oxidizing agents.

1,3-Diphenylpropane-1,3-dione MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TZ1930000

CHEMICAL NAME :: 1,3-Propanedione, 1,3-diphenyl-

CAS REGISTRY NUMBER :: 120-46-7

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C15-H12-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,28,1953 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4833 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi: Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S22-S24/25
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	TZ1930000
HS Code	2914399090

Precursor 10
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DownStream 8
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CAS#:1603-79-8 Ethyl oxophenyl... CAS#:93-89-0 Ethyl benzoate CAS#:55-21-0 Benzamide CAS#:85078-58-6 (5-phenyl-1,3,4...

HS Code	2914399090
Summary	2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.

J. Med. Chem. 48 , 2906-15, (2005)

Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of ...

A glimpse of the inner workings of the templated site.

Chem. Commun. (Camb.) (2) , 165-7, (2009)

This is the first direct experimental probe, using EXAFS, of the active site within molecularly imprinted polymers and paves the way to a more detailed understanding of the inner workings of molecular...

Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors.

J. Med. Chem. 51 , 6478-94, (2008)

Hormone sensitive lipase (HSL) has been recently implicated in diabetes and obesity, prompting attempts to discover new HSL inhibitors. Toward this end, we explored the pharmacophoric space of HSL inh...

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841

Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

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1,3-Diphenyl-1,3-propanedione

1,3-diphenylpropane-1,3-dione

Dibenzoylmethane

MFCD00003085

phenacyl phenyl ketone

EINECS 204-398-9

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