4,4-Dimethyl-2-cyclopenten-1-one
4,4-Dimethyl-2-cyclopenten-1-one structure
|
Common Name | 4,4-Dimethyl-2-cyclopenten-1-one | ||
|---|---|---|---|---|
| CAS Number | 22748-16-9 | Molecular Weight | 110.15400 | |
| Density | 0.903 | Boiling Point | 155.1ºC at 760mmHg | |
| Molecular Formula | C7H10O | Melting Point | 174-175 °C | |
| MSDS | Chinese USA | Flash Point | 46ºC | |
| Symbol |
GHS02 |
Signal Word | Warning | |
Use of 4,4-Dimethyl-2-cyclopenten-1-one4,4-Dimethyl-2-cyclopenten-1-one, a natural compound from Apocyniveneti Folium, displays higher tumor-specific cytotoxicity[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,4-dimethylcyclopent-2-en-1-one |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 4,4-Dimethyl-2-cyclopenten-1-one, a natural compound from Apocyniveneti Folium, displays higher tumor-specific cytotoxicity[1]. |
|---|---|
| Related Catalog | |
| In Vitro | 4,4-Dimethyl-2-cyclopenten-1-one selectively kills the tumor cells (HSC-2, HL-60). 4,4-Dimethyl-2-cyclopenten-1-one exhibits CC50 (50% cytotoxic concentration) values of 43.8 μg/mL, 152 μg/mL, 118 μg/mL, 14.0 μg/mL, 177 μg/mL and 123 μg/mL in HSC-2, HSC-3, HSG, HL-60, HGF and normal cells (HPC), respectively[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.903 |
|---|---|
| Boiling Point | 155.1ºC at 760mmHg |
| Melting Point | 174-175 °C |
| Molecular Formula | C7H10O |
| Molecular Weight | 110.15400 |
| Flash Point | 46ºC |
| Exact Mass | 110.07300 |
| PSA | 17.07000 |
| LogP | 1.54160 |
| Vapour Pressure | 3.09mmHg at 25°C |
| Index of Refraction | 1.457 |
| InChIKey | YVFVCSCZJJGBAK-UHFFFAOYSA-N |
| SMILES | CC1(C)C=CC(=O)C1 |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H226 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Risk Phrases | R10 |
| Safety Phrases | 16 |
| RIDADR | UN 1224 |
| Packaging Group | III |
| Hazard Class | 3.2 |
| HS Code | 2914299000 |
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#:62535-33-5
CAS#:61031-76-3![4,4-dimethylbicyclo[3.2.0]heptan-2-one Structure](https://image.chemsrc.com/caspic/352/71221-71-1.png)
CAS#:71221-71-1
CAS#:54851-48-8
CAS#:5497-67-6
CAS#:54639-78-0
CAS#:2978-30-5
CAS#:71221-65-3
CAS#:4839-46-7
CAS#:19184-67-9
CAS#:111724-37-9![5,5,5',5'-tetramethyl-[1,1'-bi(cyclopentan)]-3-ene-2,3'-dione structure](https://image.chemsrc.com/caspic/486/122039-07-0.png)
CAS#:122039-07-0
CAS#:19037-72-0
CAS#:138325-02-7
CAS#:131404-52-9
CAS#:1638-26-2
CAS#:68757-99-3
CAS#:81887-97-0
CAS#:82253-47-2
CAS#:87802-41-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914299000 |
|---|---|
| Summary | 2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Structure-activity relationships of alpha, beta-unsaturated ketones as assessed by their cytotoxicity against oral tumor cells.
Anticancer Res. 24(2B) , 737-42, (2004) A series of simple alpha, beta-unsaturated carbonyl compounds (1-26) was characterized for their cytotoxic profiles against oral human normal and tumor cells. Several cycloalkenones showed potent cyto... |
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Chemical composition of the essential oil of Tagetes minuta growing in Saudi Arabia. El-Deeb KS, et al.
Saudi Pharm. J. 12(1) , 51-53, (2004)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4,4-dimethyl-2-cyclopentenone |
| 4,4-dimethyl-2-cyclopenten-1-one |
| 4,4-dimethylcyclopent-2-enone |
| 4,4-Dimethylcyclopent-2-en-1-on |
| MFCD00075081 |
| 4,4-Dimethylcyclopent-2-ene-1-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 4,4-dimethylcyclopent-2-en-1-one? |
| A: Melting point of 4,4-dimethylcyclopent-2-en-1-one is 174-175 °C. |
| Q: What is the English name of 4,4-dimethylcyclopent-2-en-1-one? |
| A: The English name of 4,4-dimethylcyclopent-2-en-1-one is 4,4-dimethylcyclopent-2-en-1-one. |
| Q: What are the upstream materials of 4,4-dimethylcyclopent-2-en-1-one? |
| A: Related upstream materials(CAS) of 4,4-dimethylcyclopent-2-en-1-one: 62535-33-5;61031-76-3;71221-71-1;54851-48-8;5497-67-6;54639-78-0;2978-30-5;71221-65-3;4839-46-7;19184-67-9. |
| Q: What are the downstream products of 4,4-dimethylcyclopent-2-en-1-one? |
| A: Related downstream products(CAS) of 4,4-dimethylcyclopent-2-en-1-one: 111724-37-9;122039-07-0;19037-72-0;138325-02-7;131404-52-9;1638-26-2;68757-99-3;81887-97-0;82253-47-2;87802-41-3. |
| Q: What is the boiling point of 4,4-dimethylcyclopent-2-en-1-one? |
| A: Boiling point of 4,4-dimethylcyclopent-2-en-1-one is 155.1ºC at 760mmHg. |
| Q: What is the InChIKey of 4,4-dimethylcyclopent-2-en-1-one? |
| A: InChIKey of 4,4-dimethylcyclopent-2-en-1-one is YVFVCSCZJJGBAK-UHFFFAOYSA-N. |
| Q: What is the LogP of 4,4-dimethylcyclopent-2-en-1-one? |
| A: LogP of 4,4-dimethylcyclopent-2-en-1-one is 1.54160. |
| Q: What are the uses of 4,4-dimethylcyclopent-2-en-1-one? |
| A: Main uses of 4,4-dimethylcyclopent-2-en-1-one: 4,4-Dimethyl-2-cyclopenten-1-one, a natural compound from Apocyniveneti Folium, displays higher tumor-specific cytotoxicity[1]. |
| Q: What is the polar surface area (PSA) of 4,4-dimethylcyclopent-2-en-1-one? |
| A: Polar surface area (PSA) of 4,4-dimethylcyclopent-2-en-1-one is 17.07000. |
| Q: What is the molecular weight of 4,4-dimethylcyclopent-2-en-1-one? |
| A: Molecular weight of 4,4-dimethylcyclopent-2-en-1-one is 110.15400. |
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. |