1,3,5-Triacetylbenzene

Modify Date: 2026-08-03 22:34:11

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

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1,3,5-Triacetylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi:Irritant;
Risk Phrases R36/37
Safety Phrases S22-S24/25
WGK Germany 3
HS Code 2914399090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

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

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

 1,3,5-Triacetylbenzene | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 1,3,5-Triacetylbenzene?
A: SMILES notation of 1,3,5-Triacetylbenzene is CC(=O)c1cc(C(C)=O)cc(C(C)=O)c1.
Q: What are the downstream products of 1,3,5-Triacetylbenzene?
A: Related downstream products(CAS) of 1,3,5-Triacetylbenzene: 554-95-0;4435-67-0;3048-52-0;717-74-8;102-25-0;108-73-6;19576-38-6;25871-69-6;65382-85-6;91492-90-9.
Q: What is the LogP of 1,3,5-Triacetylbenzene?
A: LogP of 1,3,5-Triacetylbenzene is 2.29440.
Q: What is the boiling point of 1,3,5-Triacetylbenzene?
A: Boiling point of 1,3,5-Triacetylbenzene is 367.5ºC at 760 mmHg.
Q: What is the safety information for 1,3,5-Triacetylbenzene?
A: Safety information for 1,3,5-Triacetylbenzene: S22-S24/25.
Q: What is the CAS number of 1,3,5-Triacetylbenzene?
A: CAS number of 1,3,5-Triacetylbenzene is 779-90-8.
Q: What is the English name of 1,3,5-Triacetylbenzene?
A: The English name of 1,3,5-Triacetylbenzene is 1,3,5-Triacetylbenzene.
Q: What is the melting point of 1,3,5-Triacetylbenzene?
A: Melting point of 1,3,5-Triacetylbenzene is 160-162°C.
Q: What are the upstream materials of 1,3,5-Triacetylbenzene?
A: Related upstream materials(CAS) of 1,3,5-Triacetylbenzene: 1423-60-5;78-94-4;5436-21-5;51731-17-0;75-01-4;75-36-5;4652-27-1;90-01-7;3299-38-5;1093102-41-0.
Q: What is the molecular weight of 1,3,5-Triacetylbenzene?
A: Molecular weight of 1,3,5-Triacetylbenzene is 204.22200.

 1,3,5-Triacetylbenzenefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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