1,4-Dibenzoylbutane

Modify Date: 2025-09-12 18:09:40

1,4-Dibenzoylbutane Structure
1,4-Dibenzoylbutane structure
Common Name 1,4-Dibenzoylbutane
CAS Number 3375-38-0 Molecular Weight 266.33400
Density 1.08g/cm3 Boiling Point 433.5ºC at 760mmHg
Molecular Formula C18H18O2 Melting Point 106-108 °C(lit.)
MSDS Chinese USA Flash Point 161.9ºC

 Use of 1,4-Dibenzoylbutane


Solubility in hot Toluene:almost transparency

 Names

Name 1,6-diphenylhexane-1,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.08g/cm3
Boiling Point 433.5ºC at 760mmHg
Melting Point 106-108 °C(lit.)
Molecular Formula C18H18O2
Molecular Weight 266.33400
Flash Point 161.9ºC
Exact Mass 266.13100
PSA 34.14000
LogP 4.31260
Index of Refraction 1.56
InChIKey VRBLNWVVFVBNRK-UHFFFAOYSA-N
SMILES O=C(CCCCC(=O)c1ccccc1)c1ccccc1
Stability Stable. Combustible. Incompatible with strong oxidizing agents.

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2914399090

 Synthetic Route

 Customs

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%

 1,4-DibenzoylbutaneBioassay

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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: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH 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: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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
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 Synonyms

1,6-diphenyl-hexane-1,6-dione
1,6-diphenyl-1,6-hexadione
1,6-Hexanedione,1,6-diphenyl
1,6-Diphenyl-hexan-1,6-dion
1,4-dibenzoylbutane
Butane,1,4-dibenzoyl
EINECS 222-166-5
Butane,4-dibenzoyl
1,6-diphenyl-1,6-hexanedione
MFCD00004761
1,6-hexanedione
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