Cyclooctanone
Cyclooctanone structure
|
Common Name | Cyclooctanone | ||
|---|---|---|---|---|
| CAS Number | 502-49-8 | Molecular Weight | 126.196 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 193.2±8.0 °C at 760 mmHg | |
| Molecular Formula | C8H14O | Melting Point | 32-41 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 72.8±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Cyclooctanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 193.2±8.0 °C at 760 mmHg |
| Melting Point | 32-41 °C(lit.) |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.196 |
| Flash Point | 72.8±0.0 °C |
| Exact Mass | 126.104462 |
| PSA | 17.07000 |
| LogP | 1.89 |
| Vapour Pressure | 0.5±0.4 mmHg at 25°C |
| Index of Refraction | 1.448 |
| InChIKey | IIRFCWANHMSDCG-UHFFFAOYSA-N |
| SMILES | O=C1CCCCCCC1 |
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
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R34 |
| Safety Phrases | S45-S36/37/39-S26 |
| RIDADR | 1325.0 |
| WGK Germany | 3 |
| RTECS | GX9800000 |
| 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 9 | |
|---|---|
| DownStream 10 | |
CAS#:696-71-9
CAS#:292-64-8
CAS#:931-88-4![1,4-Dioxaspiro[4.7]dodecane Structure](https://image.chemsrc.com/caspic/156/183-03-9.png)
CAS#:183-03-9
CAS#:62249-35-8
CAS#:5452-37-9
CAS#:76-05-1
CAS#:1074-51-7![3,3-dimethyl-1,5-dioxaspiro[5.7]tridecane Structure](https://image.chemsrc.com/caspic/254/27889-58-3.png)
CAS#:27889-58-3
CAS#:4017-56-5
CAS#:5698-29-3
CAS#:496-82-2
CAS#:4423-94-3
CAS#:3350-30-9
CAS#:1502-06-3
CAS#:3637-63-6![ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure](https://image.chemsrc.com/caspic/455/40106-16-9.png)
CAS#:40106-16-9
CAS#:1459-62-7
CAS#:14519-31-4This 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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Rh(I)-catalyzed intramolecular [3 + 2] cycloaddition of trans-vinylcyclopropane-enes.
J. Am. Chem. Soc. 130(23) , 7178-9, (2008) Vinylcyclopropane (VCP) has been well applied as a five-carbon component, rather than a three-carbon component, in transition-metal catalyzed cycloadditions. Here we demonstrate a Rh(I)-catalyzed [3 +... |
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Total synthesis of (+/-)-asteriscanolide.
J. Org. Chem. 66(22) , 7443-8, (2001) The total synthesis of asteriscanolide (1) has been achieved by taking advantage on an intermolecular Pauson-Khand cycloaddition and a ring-closing metathesis as key bond-forming transformations. The ... |
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Synthesis and antimicrobial evaluation of some new cyclooctanones and cyclooctane-based heterocycles.
Arch. Pharm. (Weinheim) 345(3) , 231-9, (2012) The versatile synthon (E)-2-((dimethyl amino)methylene)cyclooctanone (2) was used as a key intermediate for the synthesis of cyclooctanones and cyclooctane-based heterocycles with pyrazole, isoxazole,... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of recombinant TRIM33 PHD bromodomain (unknown origin) using biotinylated ...
Source: ChEMBL
Target: E3 ubiquitin-protein ligase TRIM33
External Id: CHEMBL4418855
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Name: Inhibition of recombinant TRIM24 (unknown origin) using biotinylated H3 peptide (H3K9...
Source: ChEMBL
Target: Transcription intermediary factor 1-alpha
External Id: CHEMBL4418856
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Name: Inhibitory activity against phenylethanolamine N-methyl-transferase
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL763763
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 207-940-2 |
| MFCD00001754 |
| Cyclooctanone |
| cyclooctan-1-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does Cyclooctanone have? |
| A: English synonyms of Cyclooctanone: EINECS 207-940-2, MFCD00001754, Cyclooctanone, cyclooctan-1-one. |
| Q: What is the polar surface area (PSA) of Cyclooctanone? |
| A: Polar surface area (PSA) of Cyclooctanone is 17.07000. |
| Q: What are the upstream materials of Cyclooctanone? |
| A: Related upstream materials(CAS) of Cyclooctanone: 696-71-9;292-64-8;931-88-4;183-03-9;62249-35-8;5452-37-9;76-05-1;1074-51-7;27889-58-3. |
| Q: What is the molecular formula of Cyclooctanone? |
| A: Molecular formula of Cyclooctanone is C8H14O. |
| Q: What is the SMILES notation of Cyclooctanone? |
| A: SMILES notation of Cyclooctanone is O=C1CCCCCCC1. |
| Q: What is the InChIKey of Cyclooctanone? |
| A: InChIKey of Cyclooctanone is IIRFCWANHMSDCG-UHFFFAOYSA-N. |
| Q: What is the LogP of Cyclooctanone? |
| A: LogP of Cyclooctanone is 1.89. |
| Q: What is the boiling point of Cyclooctanone? |
| A: Boiling point of Cyclooctanone is 193.2±8.0 °C at 760 mmHg. |
| Q: What is the English name of Cyclooctanone? |
| A: The English name of Cyclooctanone is Cyclooctanone. |
| Q: What are the downstream products of Cyclooctanone? |
| A: Related downstream products(CAS) of Cyclooctanone: 4017-56-5;5698-29-3;496-82-2;4423-94-3;3350-30-9;1502-06-3;3637-63-6;40106-16-9;1459-62-7;14519-31-4. |
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. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: Cyclooctanone
- Price: Check
- Purity: 98.5%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: Cyclooctanone
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: CYCLOOCTANONE
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: Cyclooctanone
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
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