2',4'-Dimethylacetophenone
2',4'-Dimethylacetophenone structure
|
Common Name | 2',4'-Dimethylacetophenone | ||
|---|---|---|---|---|
| CAS Number | 89-74-7 | Molecular Weight | 148.202 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 246.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C10H12O | Melting Point | N/A | |
| MSDS | USA | Flash Point | 102.8±0.0 °C | |
Use of 2',4'-Dimethylacetophenone2',4'-Dimethylacetophenone is an endogenous metabolite. |
Summary: 2,4-Dimethylacetophenone (89-74-7) is a colorless to slightly yellow oily liquid with a molecular formula of C10H12O and a molecular weight of 148.202. It has a sweet, plant, woody, and minty aroma. The boiling point is 246.5°C, and the density is 1.0 g/cm³. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,4-Dimethylacetophenone |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2',4'-Dimethylacetophenone is an endogenous metabolite. |
|---|---|
| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 246.5±0.0 °C at 760 mmHg |
| Molecular Formula | C10H12O |
| Molecular Weight | 148.202 |
| Flash Point | 102.8±0.0 °C |
| Exact Mass | 148.088821 |
| PSA | 17.07000 |
| LogP | 2.59 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.510 |
| InChIKey | HSDSKVWQTONQBJ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(C)cc1C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/22;R36 |
| Safety Phrases | S39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:64-19-7
CAS#:108-38-3
CAS#:75-36-5
CAS#:142425-94-3
CAS#:108-24-7
CAS#:26346-85-0
CAS#:59877-29-1
CAS#:79-20-9
CAS#:108-88-3
CAS#:85981-82-4
CAS#:611-01-8
CAS#:842136-27-0
CAS#:293309-69-0
CAS#:1811-85-4
CAS#:21900-42-5
CAS#:824-55-5
CAS#:874-41-9
CAS#:102166-55-2
CAS#:528-44-9This table lists relevant public references with title, journal and publication metadata for this compound.
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Discovery of tetrahydrotetramethylnaphthalene analogs as adult T-cell leukemia cell-selective proliferation inhibitors in a small chemical library constructed based on multi-template hypothesis.
Bioorg. Med. Chem. 17 , 4740-6, (2009) Adult T cell leukemia (ATL), caused by infection of human T-lymphotropic virus type 1 (HTLV-1), has a poor prognosis and curative therapy is unavailable, so it is important to find or design superior ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antiproliferative activity against HTLV1-deficient human MOLT4 cells after 4 days by ...
Source: ChEMBL
Target: MOLT-4
External Id: CHEMBL1055501
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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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Name: Antiproliferative activity against HTLV1-carrying human S1T cells isolated from perip...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1055496
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00003571 |
| 3,4-Dimethylacetophenone |
| 1-(2,4-dimethylphenyl)ethanone |
| 1-(3,4-Dimethylphenyl)ethanone |
| 2',4'-Dimethylacetophenone |
| EINECS 201-935-9 |
| 3′,4′-Dimethylacetophenone |
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 2,4-Dimethylacetophenone? |
| A: SMILES notation of 2,4-Dimethylacetophenone is CC(=O)c1ccc(C)cc1C. |
| Q: What is the InChIKey of 2,4-Dimethylacetophenone? |
| A: InChIKey of 2,4-Dimethylacetophenone is HSDSKVWQTONQBJ-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2,4-Dimethylacetophenone? |
| A: Molecular weight of 2,4-Dimethylacetophenone is 148.202. |
| Q: What English synonyms does 2,4-Dimethylacetophenone have? |
| A: English synonyms of 2,4-Dimethylacetophenone: MFCD00003571, 3,4-Dimethylacetophenone, 1-(2,4-dimethylphenyl)ethanone, 1-(3,4-Dimethylphenyl)ethanone, 2',4'-Dimethylacetophenone, EINECS 201-935-9, 3′,4′-Dimethylacetophenone. |
| Q: What is the CAS number of 2,4-Dimethylacetophenone? |
| A: CAS number of 2,4-Dimethylacetophenone is 89-74-7. |
| Q: What is the safety information for 2,4-Dimethylacetophenone? |
| A: Safety information for 2,4-Dimethylacetophenone: S39-S26. |
| Q: What is the LogP of 2,4-Dimethylacetophenone? |
| A: LogP of 2,4-Dimethylacetophenone is 2.59. |
| Q: What is the polar surface area (PSA) of 2,4-Dimethylacetophenone? |
| A: Polar surface area (PSA) of 2,4-Dimethylacetophenone is 17.07000. |
| Q: What are the upstream materials of 2,4-Dimethylacetophenone? |
| A: Related upstream materials(CAS) of 2,4-Dimethylacetophenone: 64-19-7;108-38-3;75-36-5;142425-94-3;108-24-7;26346-85-0;59877-29-1;79-20-9;108-88-3;85981-82-4. |
| Q: What are the downstream products of 2,4-Dimethylacetophenone? |
| A: Related downstream products(CAS) of 2,4-Dimethylacetophenone: 108-38-3;611-01-8;842136-27-0;293309-69-0;1811-85-4;21900-42-5;824-55-5;874-41-9;102166-55-2;528-44-9. |
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. |