1,3,5-Triacetylbenzene

Modify Date: 2025-08-25 12:19:11

1,3,5-Triacetylbenzene Structure
1,3,5-Triacetylbenzene structure
Common Name 1,3,5-Triacetylbenzene
CAS Number 779-90-8 Molecular Weight 204.22200
Density 1.109 g/cm3 Boiling Point 367.5ºC at 760 mmHg
Molecular Formula C12H12O3 Melting Point 160-162°C
MSDS N/A Flash Point 158.7ºC

 Names

Name 1,3,5-Triacetylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.109 g/cm3
Boiling Point 367.5ºC at 760 mmHg
Melting Point 160-162°C
Molecular Formula C12H12O3
Molecular Weight 204.22200
Flash Point 158.7ºC
Exact Mass 204.07900
PSA 51.21000
LogP 2.29440
Index of Refraction 1.524
InChIKey HSOAIPRTHLEQFI-UHFFFAOYSA-N
SMILES CC(=O)c1cc(C(C)=O)cc(C(C)=O)c1

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37
Safety Phrases S22-S24/25
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%

 1,3,5-TriacetylbenzeneBioassay

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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
Name: Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4296184
Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
Name: Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4296185
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
Name: Antifungal activity against Cryptococcus neoformans H99 ATCC 208821 (CO-ADD:FG_002); ...
Source: ChEMBL
Target: Cryptococcus neoformans
External Id: CHEMBL4296190
Name: Antifungal activity against Candida albicans ATCC 90028 (CO-ADD:FG_001); MIC in YNB m...
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL4296189
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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 Synonyms

1-(3,5-diacetylphenyl)ethanone
EINECS 212-302-1
MFCD00008741
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