Thymoquinone
Thymoquinone structure
|
Common Name | Thymoquinone | ||
|---|---|---|---|---|
| CAS Number | 490-91-5 | Molecular Weight | 164.201 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 232.0±15.0 °C at 760 mmHg | |
| Molecular Formula | C10H12O2 | Melting Point | 167 ºC | |
| MSDS | Chinese USA | Flash Point | 103.9±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of ThymoquinoneThymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Thymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1]. |
|---|---|
| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 232.0±15.0 °C at 760 mmHg |
| Melting Point | 167 ºC |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.201 |
| Flash Point | 103.9±0.0 °C |
| Exact Mass | 164.083725 |
| PSA | 34.14000 |
| LogP | 2.33 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.505 |
| InChIKey | KEQHJBNSCLWCAE-UHFFFAOYSA-N |
| SMILES | CC1=CC(=O)C(C(C)C)=CC1=O |
| Storage condition | 2~8°C |
| Water Solubility | Very slightly soluble (0.82 g/L) (25 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
MUTATION DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R22 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | GU5330000 |
| HS Code | 2914690090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 8 | |
CAS#:499-75-2
CAS#:89-83-8
CAS#:1128-28-5
CAS#:2217-60-9
CAS#:99-87-6
CAS#:74317-48-9
CAS#:6321-11-5
CAS#:2051-53-8
CAS#:29096-93-3
CAS#:6307-97-7
CAS#:17302-61-3
CAS#:14753-08-3
CAS#:2654-70-8
CAS#:71-43-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914690090 |
|---|---|
| Summary | 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Thymoquinone Pretreatment Overcomes the Insensitivity and Potentiates the Antitumor Effect of Gemcitabine Through Abrogation of Notch1, PI3K/Akt/mTOR Regulated Signaling Pathways in Pancreatic Cancer.
Dig. Dis. Sci. 60 , 1067-80, (2015) The gemcitabine-insensitivity remains the main challenge for pancreatic cancer treatment. Thymoquinone, the predominant bioactive ingredient of Nigella sativa, has been shown to possess promising anti... |
|
|
Thymoquinone restores radiation-induced TGF-β expression and abrogates EMT in chemoradiotherapy of breast cancer cells.
J. Cell Physiol. 230(3) , 620-9, (2015) Radiotherapy remains a prime approach to adjuvant therapies in patients with early and advanced breast cancer. In spite of therapeutic success, metastatic progression in patients undergoing therapy, l... |
|
|
Evaluation of Antioxidant and Antibacterial Potentials of Nigella sativa L. Suspension Cultures under Elicitation.
Biomed Res. Int. 2015 , 708691, (2015) Nigella sativa L. (family Ranunculaceae) is an annual herb of immense medicinal properties because of its major active components (i.e., thymoquinone (TQ), thymohydroquinone (THQ), and thymol (THY)). ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Isopropyl-2-methyl-1,4-benzoquinone |
| 2-isopropyl-5-methyl-para-benzoquinone |
| 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione |
| MFCD00001602 |
| p-Cymene-2,5-dione |
| Thymoquinone |
| 2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione |
| Thymoquinon |
| 2-Isopropyl-5-methyl-1,4-benzoquinone |
| 2-isopropyl-5-methylbenzo-1,4-quinone |
| 2-Isopropyl-5-methylbenzoquinone |
| 2-Methyl-5-iso-propylbenzoquinone |
| 2-isopropyl-5-methyl-p-benzoquinone |
| 2-methyl-5-isopropyl-1,4-benzoquinone |
| p-Mentha-3,6-diene-2,5-dione |
| EINECS 207-721-1 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: Polar surface area (PSA) of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is 34.14000. |
| Q: What are the downstream products of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: Related downstream products(CAS) of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione: 89-83-8;29096-93-3;6307-97-7;17302-61-3;14753-08-3;2654-70-8;2217-60-9;71-43-2. |
| Q: What are the storage conditions for 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: Storage conditions for 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione: 2~8°C. |
| Q: What is the melting point of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: Melting point of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is 167 ºC. |
| Q: What is the safety information for 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: Safety information for 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione: S26-S36. |
| Q: What is the molecular weight of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: Molecular weight of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is 164.201. |
| Q: What is the CAS number of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: CAS number of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is 490-91-5. |
| Q: What is the LogP of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: LogP of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is 2.33. |
| Q: What are the uses of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: Main uses of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione: Thymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1]. |
| Q: What is the English name of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione? |
| A: The English name of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione. |
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. |
| naturewill |
| Henan Tianfu Chemical Co., Ltd. |