2-Hexenoic acid,2-acetyl-, ethyl ester
2-Hexenoic acid,2-acetyl-, ethyl ester structure
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Common Name | 2-Hexenoic acid,2-acetyl-, ethyl ester | ||
|---|---|---|---|---|
| CAS Number | 31336-34-2 | Molecular Weight | 184.23200 | |
| Density | 0.981g/cm3 | Boiling Point | 247.9ºC at 760mmHg | |
| Molecular Formula | C10H16O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 101.4ºC | |
Summary: ethyl (Z)-2-acetylhex-2-enoate (E-2-acetyl-2-hexenoic acid ethyl ester), Chinese name not provided, CAS number 31336-34-2, molecular formula C10H16O3, molecular weight 184.23200, 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 | ethyl (Z)-2-acetylhex-2-enoate |
|---|---|
| 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 | 0.981g/cm3 |
|---|---|
| Boiling Point | 247.9ºC at 760mmHg |
| Molecular Formula | C10H16O3 |
| Molecular Weight | 184.23200 |
| Flash Point | 101.4ºC |
| Exact Mass | 184.11000 |
| PSA | 43.37000 |
| LogP | 1.86500 |
| Index of Refraction | 1.446 |
| InChIKey | YCFIMPXZYSZJBO-CLFYSBASSA-N |
| SMILES | CCCC=C(C(C)=O)C(=O)OCC |
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.
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~73%
2-Hexenoic acid... CAS#:31336-34-2 |
| Literature: Zav'yalov, S. I.; Dorofeeva, O. V.; Taganova, O. K. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1985 , vol. 34, # 2 p. 453 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1985 , # 2 p. 495 - 496 |
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~%
2-Hexenoic acid... CAS#:31336-34-2
Learn More
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| Literature: Verhe, Roland; Kimpe, Norbert De; Courtheyn, Dirk; Buyck, Laurent De; Schamp, Niceas Tetrahedron, 1982 , vol. 38, # 24 p. 3649 - 3660 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-acetyl-hex-2-enoic acid ethyl ester |
| 2-Acetyl-hex-2-ensaeure-aethylester |
| 2-Acetyl-2-hexensaeureethylester |
| 2-Hexenoic acid,2-acetyl-,ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of ethyl (Z)-2-acetylhex-2-enoate? |
| A: InChIKey of ethyl (Z)-2-acetylhex-2-enoate is YCFIMPXZYSZJBO-CLFYSBASSA-N. |
| Q: What is the Chinese name of 31336-34-2? |
| A: Chinese name of 31336-34-2 is 31336-34-2. |
| Q: What are the upstream materials of ethyl (Z)-2-acetylhex-2-enoate? |
| A: Related upstream materials(CAS) of ethyl (Z)-2-acetylhex-2-enoate: 141-97-9;123-72-8. |
| Q: What is the molecular weight of ethyl (Z)-2-acetylhex-2-enoate? |
| A: Molecular weight of ethyl (Z)-2-acetylhex-2-enoate is 184.23200. |
| Q: What is the LogP of ethyl (Z)-2-acetylhex-2-enoate? |
| A: LogP of ethyl (Z)-2-acetylhex-2-enoate is 1.86500. |
| Q: What is the polar surface area (PSA) of ethyl (Z)-2-acetylhex-2-enoate? |
| A: Polar surface area (PSA) of ethyl (Z)-2-acetylhex-2-enoate is 43.37000. |
| Q: What is the English name of ethyl (Z)-2-acetylhex-2-enoate? |
| A: The English name of ethyl (Z)-2-acetylhex-2-enoate is ethyl (Z)-2-acetylhex-2-enoate. |
| Q: What is the boiling point of ethyl (Z)-2-acetylhex-2-enoate? |
| A: Boiling point of ethyl (Z)-2-acetylhex-2-enoate is 247.9ºC at 760mmHg. |
| Q: What is the CAS number of ethyl (Z)-2-acetylhex-2-enoate? |
| A: CAS number of ethyl (Z)-2-acetylhex-2-enoate is 31336-34-2. |
| Q: What is the SMILES notation of ethyl (Z)-2-acetylhex-2-enoate? |
| A: SMILES notation of ethyl (Z)-2-acetylhex-2-enoate is CCCC=C(C(C)=O)C(=O)OCC. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |