Demethoxyencecalin
Demethoxyencecalin structure
|
Common Name | Demethoxyencecalin | ||
|---|---|---|---|---|
| CAS Number | 19013-07-1 | Molecular Weight | 202.249 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 329.8±42.0 °C at 760 mmHg | |
| Molecular Formula | C13H14O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 147.7±21.4 °C | |
Use of DemethoxyencecalinDemethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(2,2-dimethylchromen-6-yl)ethanone |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1]. |
|---|---|
| Related Catalog | |
| Target |
IC50: antifungal[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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 329.8±42.0 °C at 760 mmHg |
| Molecular Formula | C13H14O2 |
| Molecular Weight | 202.249 |
| Flash Point | 147.7±21.4 °C |
| Exact Mass | 202.099380 |
| PSA | 26.30000 |
| LogP | 3.23 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.531 |
| InChIKey | ZAJTXVHECZCXLH-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc2c(c1)C=CC(C)(C)O2 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2914190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914190090 |
|---|---|
| Summary | 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,2-Dimethyl-2H-chromene |
| 6-acetyl-2,2-dimethyl-2H-benzo[b]pyran |
| 1-(2,2-Dimethyl-2H-chromen-6-yl)ethanone |
| 6-acetyl-2,2-dimethylchromene |
| 1-(2,2-Dimethylchromen-6-yl)ethan-1-one |
| Desmethoxyencecalin |
| 6-acetyl-2,2-dimethyl-2H-1-benzopyran |
| 2,2-Dimethyl-6-acetyl-2H-1-benzopyran |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 1-(2,2-dimethylchromen-6-yl)ethanone have? |
| A: English synonyms of 1-(2,2-dimethylchromen-6-yl)ethanone: 2,2-Dimethyl-2H-chromene, 6-acetyl-2,2-dimethyl-2H-benzo[b]pyran, 1-(2,2-Dimethyl-2H-chromen-6-yl)ethanone, 6-acetyl-2,2-dimethylchromene, 1-(2,2-Dimethylchromen-6-yl)ethan-1-one, Desmethoxyencecalin, 6-acetyl-2,2-dimethyl-2H-1-benzopyran, 2,2-Dimethyl-6-acetyl-2H-1-benzopyran. |
| Q: What is the InChIKey of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: InChIKey of 1-(2,2-dimethylchromen-6-yl)ethanone is ZAJTXVHECZCXLH-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: Polar surface area (PSA) of 1-(2,2-dimethylchromen-6-yl)ethanone is 26.30000. |
| Q: What are the uses of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: Main uses of 1-(2,2-dimethylchromen-6-yl)ethanone: Demethoxyencecalin is a chromene isolated from Helianthus annuus, has antifungal activities[1]. |
| Q: What is the CAS number of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: CAS number of 1-(2,2-dimethylchromen-6-yl)ethanone is 19013-07-1. |
| Q: What is the molecular weight of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: Molecular weight of 1-(2,2-dimethylchromen-6-yl)ethanone is 202.249. |
| Q: What is the SMILES notation of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: SMILES notation of 1-(2,2-dimethylchromen-6-yl)ethanone is CC(=O)c1ccc2c(c1)C=CC(C)(C)O2. |
| Q: What is the molecular formula of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: Molecular formula of 1-(2,2-dimethylchromen-6-yl)ethanone is C13H14O2. |
| Q: What is the English name of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: The English name of 1-(2,2-dimethylchromen-6-yl)ethanone is 1-(2,2-dimethylchromen-6-yl)ethanone. |
| Q: What is the LogP of 1-(2,2-dimethylchromen-6-yl)ethanone? |
| A: LogP of 1-(2,2-dimethylchromen-6-yl)ethanone is 3.23. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |