1,2-Cyclohexanedione
1,2-Cyclohexanedione structure
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Common Name | 1,2-Cyclohexanedione | ||
|---|---|---|---|---|
| CAS Number | 765-87-7 | Molecular Weight | 112.127 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 194.0±9.0 °C at 760 mmHg | |
| Molecular Formula | C6H8O2 | Melting Point | 35 °C | |
| MSDS | Chinese USA | Flash Point | 66.9±4.4 °C | |
Use of 1,2-Cyclohexanedione1,2-Cyclohexanedione is an endogenous metabolite. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | cyclohexane-1,2-dione |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 1,2-Cyclohexanedione is an endogenous metabolite. |
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| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 194.0±9.0 °C at 760 mmHg |
| Melting Point | 35 °C |
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.127 |
| Flash Point | 66.9±4.4 °C |
| Exact Mass | 112.052429 |
| PSA | 34.14000 |
| LogP | 0.11 |
| Vapour Pressure | 0.5±0.4 mmHg at 25°C |
| Index of Refraction | 1.474 |
| InChIKey | OILAIQUEIWYQPH-UHFFFAOYSA-N |
| SMILES | O=C1CCCCC1=O |
| Storage condition | 0-6°C |
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 DATAMUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22 |
| Safety Phrases | S24/25 |
| RIDADR | 1325.0 |
| WGK Germany | 3 |
| RTECS | GV0340000 |
| Hazard Class | 4.1 |
| 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 | |
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| DownStream 10 | |
CAS#:931-17-9
CAS#:110-83-8
CAS#:1792-81-0
CAS#:1460-57-7
CAS#:1072-86-2
CAS#:52190-35-9
CAS#:286-20-4
CAS#:63703-34-4
CAS#:533-60-8
CAS#:3242-56-6
CAS#:104994-78-7
CAS#:108153-93-1
CAS#:124-04-9
CAS#:328-42-7
CAS#:110-15-6
CAS#:492-99-9
CAS#:490-59-5
CAS#:14192-67-7![1,2-cyclohexanedione, mono[(4-chlorophenyl)hydrazone] structure](https://image.chemsrc.com/caspic/047/14192-45-1.png)
CAS#:14192-45-1This 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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Chemical modification of cationic groups in the polypeptide cardiac stimulant anthopleurin-A.
Toxicon 33(2) , 187-99, (1995) Chemical modification studies have been carried out on the sea anemone polypeptide anthopleurin-A in order to clarify the role of Arg-14 in its cardiac stimulatory activity. Reaction with 1,2-cyclohex... |
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Modification of arginine-198 in sarcoplasmic reticulum Ca2+-ATPase by 1,2-cyclohexanedione causes inhibition of formation of the phosphoenzyme intermediate from inorganic phosphate.
J. Biol. Chem. 272(34) , 21142-50, (1997) Sarcoplasmic reticulum vesicles were modified with 1,2-cyclohexanedione (CHD), a specific arginine-modifying reagent, in sodium borate (pH 8.0 or 8.8). Phosphoenzyme formation from Pi in the Ca2+-ATPa... |
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Evidence for an essential arginine in the flavoprotein nitroalkane oxidase.
J. Enzym. Inhib. 16(2) , 157-63, (2001) The flavoprotein nitroalkane oxidase from the fungus Fusarium oxysporum catalyzes the oxidative denitrification of primary or secondary nitroalkanes to yield the respective aldehydes or ketones, hydro... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841
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Name: Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophe...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL839684
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Name: Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl ace...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828256
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Name: Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocho...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL828255
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Name: Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl a...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828284
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Cyclohexan-1,2-dion |
| L6VVTJ |
| 1,2-Cyclohexadione |
| EINECS 212-155-3 |
| Cyclohexan-1,2-dione |
| 1,2-Cyclohexanedione |
| MFCD04971978 |
| Cyclohexane-1,2-dione |
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 cyclohexane-1,2-dione? |
| A: Melting point of cyclohexane-1,2-dione is 35 °C. |
| Q: What English synonyms does cyclohexane-1,2-dione have? |
| A: English synonyms of cyclohexane-1,2-dione: Cyclohexan-1,2-dion, L6VVTJ, 1,2-Cyclohexadione, EINECS 212-155-3, Cyclohexan-1,2-dione, 1,2-Cyclohexanedione, MFCD04971978, Cyclohexane-1,2-dione. |
| Q: What are the downstream products of cyclohexane-1,2-dione? |
| A: Related downstream products(CAS) of cyclohexane-1,2-dione: 104994-78-7;108153-93-1;124-04-9;328-42-7;110-15-6;533-60-8;492-99-9;490-59-5;14192-67-7;14192-45-1. |
| Q: What are the storage conditions for cyclohexane-1,2-dione? |
| A: Storage conditions for cyclohexane-1,2-dione: 0-6°C. |
| Q: What are the uses of cyclohexane-1,2-dione? |
| A: Main uses of cyclohexane-1,2-dione: 1,2-Cyclohexanedione is an endogenous metabolite. |
| Q: What is the molecular formula of cyclohexane-1,2-dione? |
| A: Molecular formula of cyclohexane-1,2-dione is C6H8O2. |
| Q: What is the LogP of cyclohexane-1,2-dione? |
| A: LogP of cyclohexane-1,2-dione is 0.11. |
| Q: What are the upstream materials of cyclohexane-1,2-dione? |
| A: Related upstream materials(CAS) of cyclohexane-1,2-dione: 931-17-9;110-83-8;1792-81-0;1460-57-7;1072-86-2;52190-35-9;286-20-4;63703-34-4;533-60-8;3242-56-6. |
| Q: What is the molecular weight of cyclohexane-1,2-dione? |
| A: Molecular weight of cyclohexane-1,2-dione is 112.127. |
| Q: What is the boiling point of cyclohexane-1,2-dione? |
| A: Boiling point of cyclohexane-1,2-dione is 194.0±9.0 °C at 760 mmHg. |
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. |
| Henan Tianfu Chemical Co., Ltd. |