Ethyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate
Ethyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate structure
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Common Name | Ethyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylbenzeneacetate | ||
|---|---|---|---|---|
| CAS Number | 76811-97-7 | Molecular Weight | 296.78900 | |
| Density | 1.105 | Boiling Point | 409.8ºC at 760 mmHg | |
| Molecular Formula | C16H21ClO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 150.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate |
|---|---|
| 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 | 1.105 |
|---|---|
| Boiling Point | 409.8ºC at 760 mmHg |
| Molecular Formula | C16H21ClO3 |
| Molecular Weight | 296.78900 |
| Flash Point | 150.7ºC |
| Exact Mass | 296.11800 |
| PSA | 43.37000 |
| LogP | 3.72900 |
| Index of Refraction | 1.506 |
| InChIKey | NQQITLVKOMJPDY-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(C)(C)c1ccc(C(=O)CCCCl)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2918300090 |
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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 1 | |
CAS#:169280-21-1
CAS#:2901-13-5
CAS#:4635-59-0
CAS#:7623-11-2
CAS#:64-17-5
CAS#:162096-54-0
CAS#:71-43-2
CAS#:18755-52-7![2-[4-(4-Chlorobutanoyl)phenyl]-2-methylpropyl acetate Structure](https://image.chemsrc.com/caspic/382/169032-11-5.png)
CAS#:169032-11-5
CAS#:83799-24-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid |
| ETHYL,4-(4-CHLORO-1-OXOBUTYL)-A,A-DIMETHYLBENZENE ACETATE |
| Benzeneacetic acid,4-(4-chloro-1-oxobutyl)-a,a-diMethyl-,ethyl ester |
| 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic acid,ethyl ester |
| MFCD07782109 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: CAS number of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate is 76811-97-7. |
| Q: What is the InChIKey of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: InChIKey of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate is NQQITLVKOMJPDY-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: Polar surface area (PSA) of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate is 43.37000. |
| Q: What is the molecular weight of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: Molecular weight of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate is 296.78900. |
| Q: What is the English name of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: The English name of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate is Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate. |
| Q: What is the LogP of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: LogP of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate is 3.72900. |
| Q: What English synonyms does Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate have? |
| A: English synonyms of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate: 2-[4-(4-Chloro-butyryl)-phenyl]-2-methyl-propionic acid, ETHYL,4-(4-CHLORO-1-OXOBUTYL)-A,A-DIMETHYLBENZENE ACETATE, Benzeneacetic acid,4-(4-chloro-1-oxobutyl)-a,a-diMethyl-,ethyl ester, 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic acid,ethyl ester, MFCD07782109. |
| Q: What are the upstream materials of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: Related upstream materials(CAS) of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate: 169280-21-1;2901-13-5;4635-59-0;7623-11-2;64-17-5;162096-54-0;71-43-2;18755-52-7;169032-11-5. |
| Q: What are the downstream products of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: Related downstream products(CAS) of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate: 83799-24-0. |
| Q: What is the molecular formula of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate? |
| A: Molecular formula of Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate is C16H21ClO3. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |