Ethyl 2-benzylidene-3-oxobutanoate
Ethyl 2-benzylidene-3-oxobutanoate structure
|
Common Name | Ethyl 2-benzylidene-3-oxobutanoate | ||
|---|---|---|---|---|
| CAS Number | 620-80-4 | Molecular Weight | 218.249 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 296.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C13H14O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 111.9±18.2 °C | |
Summary: Ethyl 2-benzylidene-3-oxobutanoate (Chinese name: 2-苯亚甲基乙酰乙酸乙酯，CAS number: 620-80-4)，molecular formula: C13H14O3，molecular weight: 218.249. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Ethyl2-benzylideneacetoacetate |
|---|---|
| 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 296.0±0.0 °C at 760 mmHg |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.249 |
| Flash Point | 111.9±18.2 °C |
| Exact Mass | 218.094299 |
| PSA | 43.37000 |
| LogP | 2.21 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.546 |
| InChIKey | AYZGINZXVVKWKV-FMIVXFBMSA-N |
| SMILES | CCOC(=O)C(=Cc1ccccc1)C(C)=O |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2918300090 |
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#:141-97-9
CAS#:100-52-7
CAS#:15301-37-8
CAS#:36276-69-4
CAS#:2538-76-3
CAS#:108-86-1
CAS#:3788-94-1
CAS#:626-34-6
CAS#:7647-01-0
CAS#:4165-96-2
CAS#:19419-23-9
CAS#:7189-04-0
CAS#:588-64-7
CAS#:620-79-1
CAS#:15409-48-0
CAS#:1124-63-6
CAS#:122-57-6
CAS#:17572-39-3
CAS#:16430-09-4This 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.
| Ethyl (2Z)-2-benzylidene-3-oxobutanoate |
| Ethyl 2-benzylideneacetoacetate |
| 2-Acetyl-3-phenylpropenoic acid ethyl ester |
| ethyl 2-benzylidene-3-oxobutanoate |
| 2-Benzylidene-3-oxobutanoic acid ethyl ester |
| 2-Acetyl-3-phenylacrylic acid ethyl ester |
| ethyl acetobenzylidene acetate |
| Ethyl (2E)-2-benzylidene-3-oxobutanoate |
| 2-Benzylidene-3-oxobutyric acid ethyl ester |
| 2-benzylideneacetoacetic acid ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Ethyl2-benzylideneacetoacetate? |
| A: SMILES notation of Ethyl2-benzylideneacetoacetate is CCOC(=O)C(=Cc1ccccc1)C(C)=O. |
| Q: What are the upstream materials of Ethyl2-benzylideneacetoacetate? |
| A: Related upstream materials(CAS) of Ethyl2-benzylideneacetoacetate: 141-97-9;100-52-7;15301-37-8;36276-69-4;2538-76-3;108-86-1;3788-94-1;626-34-6;7647-01-0. |
| Q: What is the molecular formula of Ethyl2-benzylideneacetoacetate? |
| A: Molecular formula of Ethyl2-benzylideneacetoacetate is C13H14O3. |
| Q: What is the InChIKey of Ethyl2-benzylideneacetoacetate? |
| A: InChIKey of Ethyl2-benzylideneacetoacetate is AYZGINZXVVKWKV-FMIVXFBMSA-N. |
| Q: What is the CAS number of Ethyl2-benzylideneacetoacetate? |
| A: CAS number of Ethyl2-benzylideneacetoacetate is 620-80-4. |
| Q: What is the boiling point of Ethyl2-benzylideneacetoacetate? |
| A: Boiling point of Ethyl2-benzylideneacetoacetate is 296.0±0.0 °C at 760 mmHg. |
| Q: What English synonyms does Ethyl2-benzylideneacetoacetate have? |
| A: English synonyms of Ethyl2-benzylideneacetoacetate: Ethyl (2Z)-2-benzylidene-3-oxobutanoate, Ethyl 2-benzylideneacetoacetate, 2-Acetyl-3-phenylpropenoic acid ethyl ester, ethyl 2-benzylidene-3-oxobutanoate, 2-Benzylidene-3-oxobutanoic acid ethyl ester, 2-Acetyl-3-phenylacrylic acid ethyl ester, ethyl acetobenzylidene acetate, Ethyl (2E)-2-benzylidene-3-oxobutanoate, 2-Benzylidene-3-oxobutyric acid ethyl ester, 2-benzylideneacetoacetic acid ethyl ester. |
| Q: What are the storage conditions for Ethyl2-benzylideneacetoacetate? |
| A: Storage conditions for Ethyl2-benzylideneacetoacetate: 2-8°C. |
| Q: What is the molecular weight of Ethyl2-benzylideneacetoacetate? |
| A: Molecular weight of Ethyl2-benzylideneacetoacetate is 218.249. |
| Q: What is the English name of Ethyl2-benzylideneacetoacetate? |
| A: The English name of Ethyl2-benzylideneacetoacetate is Ethyl2-benzylideneacetoacetate. |
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. |