1-phenyl-1-propyne
1-phenyl-1-propyne structure
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Common Name | 1-phenyl-1-propyne | ||
|---|---|---|---|---|
| CAS Number | 623-32-5 | Molecular Weight | 308.49900 | |
| Density | 0.928 g/mL at 25ºC(lit.) | Boiling Point | 185ºC(lit.) | |
| Molecular Formula | C20H36O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 144 °F | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 13-cyclopent-2-en-1-yltridecanoate |
|---|---|
| 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 | 0.928 g/mL at 25ºC(lit.) |
|---|---|
| Boiling Point | 185ºC(lit.) |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.49900 |
| Flash Point | 144 °F |
| Exact Mass | 308.27200 |
| PSA | 26.30000 |
| LogP | 6.19690 |
| Index of Refraction | n20/D 1.564(lit.) |
| InChIKey | FDGHZUQYDACRTA-IBGZPJMESA-N |
| SMILES | CCOC(=O)CCCCCCCCCCCCC1C=CCC1 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26-36/37/39 |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1-phenyl-1-propyne CAS#:623-32-5 |
| Literature: Mitchovitch Bulletin de la Societe Chimique de France, 1937 , vol. <5> 4, p. 1661,1669 |
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1-phenyl-1-propyne CAS#:623-32-5 |
| Literature: Power; Gornall Journal of the Chemical Society, 1904 , vol. 85, p. 856 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antimycobacterial activity against Mycobacterium tuberculosis H37Rv
Source: ChEMBL
Target: Mycobacterium tuberculosis
External Id: CHEMBL2209271
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl 2-cyclopentene-1-tridecanoate |
| Ethy6l chaulmoograte |
| Chaulmoogric acid,ethyl ester |
| EINECS 210-786-9 |
| 2-Cyclopentene-1-tridecanoic acid,ethyl ester |
| ethyl chaulmoograte |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: Molecular formula of ethyl 13-cyclopent-2-en-1-yltridecanoate is C20H36O2. |
| Q: What is the safety information for ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: Safety information for ethyl 13-cyclopent-2-en-1-yltridecanoate: 26-36/37/39. |
| Q: What is the English name of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: The English name of ethyl 13-cyclopent-2-en-1-yltridecanoate is ethyl 13-cyclopent-2-en-1-yltridecanoate. |
| Q: What is the polar surface area (PSA) of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: Polar surface area (PSA) of ethyl 13-cyclopent-2-en-1-yltridecanoate is 26.30000. |
| Q: What is the SMILES notation of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: SMILES notation of ethyl 13-cyclopent-2-en-1-yltridecanoate is CCOC(=O)CCCCCCCCCCCCC1C=CCC1. |
| Q: What is the boiling point of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: Boiling point of ethyl 13-cyclopent-2-en-1-yltridecanoate is 185ºC(lit.). |
| Q: What English synonyms does ethyl 13-cyclopent-2-en-1-yltridecanoate have? |
| A: English synonyms of ethyl 13-cyclopent-2-en-1-yltridecanoate: Ethyl 2-cyclopentene-1-tridecanoate, Ethy6l chaulmoograte, Chaulmoogric acid,ethyl ester, EINECS 210-786-9, 2-Cyclopentene-1-tridecanoic acid,ethyl ester, ethyl chaulmoograte. |
| Q: What are the upstream materials of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: Related upstream materials(CAS) of ethyl 13-cyclopent-2-en-1-yltridecanoate: 64-17-5;502-30-7. |
| Q: What is the molecular weight of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: Molecular weight of ethyl 13-cyclopent-2-en-1-yltridecanoate is 308.49900. |
| Q: What is the InChIKey of ethyl 13-cyclopent-2-en-1-yltridecanoate? |
| A: InChIKey of ethyl 13-cyclopent-2-en-1-yltridecanoate is FDGHZUQYDACRTA-IBGZPJMESA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |