Ethynyl propyl ketone
Ethynyl propyl ketone structure
|
Common Name | Ethynyl propyl ketone | ||
|---|---|---|---|---|
| CAS Number | 689-00-9 | Molecular Weight | 96.12710 | |
| Density | 0.886g/cm3 | Boiling Point | 135.5ºC at 760 mmHg | |
| Molecular Formula | C6H8O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 41.8ºC | |
Summary: Hex-1-yn-3-one, also known as ethynyl propyl ketone, has a CAS number of 689-00-9. Its molecular formula is C6H8O, and the molecular weight is 96.12710. 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 | hex-1-yn-3-one |
|---|---|
| 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 | 0.886g/cm3 |
|---|---|
| Boiling Point | 135.5ºC at 760 mmHg |
| Molecular Formula | C6H8O |
| Molecular Weight | 96.12710 |
| Flash Point | 41.8ºC |
| Exact Mass | 96.05750 |
| PSA | 17.07000 |
| LogP | 0.98880 |
| Index of Refraction | 1.424 |
| InChIKey | KSJAIMUFADDAOP-UHFFFAOYSA-N |
| SMILES | C#CC(=O)CCC |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914190090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~66%
Ethynyl propyl ... CAS#:689-00-9 |
| Literature: Mueller, Paul; Godoy, Jose Tetrahedron Letters, 1981 , vol. 22, # 25 p. 2361 - 2364 |
|
~40%
Ethynyl propyl ... CAS#:689-00-9 |
| Literature: Schubert, Thomas; Hummel, Werner; Kula, Maria-Regina; Mueller, Michael European Journal of Organic Chemistry, 2001 , # 22 p. 4181 - 4187 |
|
~%
Ethynyl propyl ... CAS#:689-00-9 |
| Literature: Bradshaw, Curt W.; Fu, Hong; Shen, Gwo-Jenn; Wong, Chi-Huey Journal of Organic Chemistry, 1992 , vol. 57, # 5 p. 1526 - 1532 |
|
~%
Ethynyl propyl ... CAS#:689-00-9 |
| Literature: Heiss, Christian; Laivenieks, Maris; Zeikus; Phillips, Robert S. Bioorganic and Medicinal Chemistry, 2001 , vol. 9, # 7 p. 1659 - 1666 |
|
~%
Ethynyl propyl ... CAS#:689-00-9 |
| Literature: Kresge, A. J.; Powell, M. F. Journal of Organic Chemistry, 1986 , vol. 51, # 6 p. 819 - 822 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 3 | |
CAS#:1629-60-3
CAS#:500733-82-4This 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.
| Propyl-aethinyl-keton |
| 1-hexyn-3-one |
| Ethynyl propyl ketone |
| HC.equiv.CCOCH2CH2CH3 |
| Hex-1-in-3-on |
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 hex-1-yn-3-one? |
| A: SMILES notation of hex-1-yn-3-one is C#CC(=O)CCC. |
| Q: What are the downstream products of hex-1-yn-3-one? |
| A: Related downstream products(CAS) of hex-1-yn-3-one: 105-31-7;1629-60-3;500733-82-4. |
| Q: What is the English name of hex-1-yn-3-one? |
| A: The English name of hex-1-yn-3-one is hex-1-yn-3-one. |
| Q: What are the upstream materials of hex-1-yn-3-one? |
| A: Related upstream materials(CAS) of hex-1-yn-3-one: 105-31-7;141-75-3;1066-54-2;80352-59-6;14630-40-1. |
| Q: What is the polar surface area (PSA) of hex-1-yn-3-one? |
| A: Polar surface area (PSA) of hex-1-yn-3-one is 17.07000. |
| Q: What is the Chinese name of 689-00-9? |
| A: Chinese name of 689-00-9 is 689-00-9. |
| Q: What English synonyms does hex-1-yn-3-one have? |
| A: English synonyms of hex-1-yn-3-one: Propyl-aethinyl-keton, 1-hexyn-3-one, Ethynyl propyl ketone, HC.equiv.CCOCH2CH2CH3, Hex-1-in-3-on. |
| Q: What is the CAS number of hex-1-yn-3-one? |
| A: CAS number of hex-1-yn-3-one is 689-00-9. |
| Q: What is the InChIKey of hex-1-yn-3-one? |
| A: InChIKey of hex-1-yn-3-one is KSJAIMUFADDAOP-UHFFFAOYSA-N. |
| Q: What is the molecular weight of hex-1-yn-3-one? |
| A: Molecular weight of hex-1-yn-3-one is 96.12710. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |