Introduction:Basic information about CAS 6285-06-9|3-Ethyl-1-pentyn-3-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Ethyl-1-pentyn-3-ol |
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| CAS Number | 6285-06-9 | Molecular Weight | 112.170 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 137.1±8.0 °C at 760 mmHg |
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| Molecular Formula | C7H12O | Melting Point | 138-140 °C (lit.) |
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| MSDS | ChineseUSA | Flash Point | 37.8±8.2 °C |
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| Symbol | GHS02 | Signal Word | Warning |
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Names
| Name | 3-Ethyl-1-pentyn-3-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 137.1±8.0 °C at 760 mmHg |
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| Melting Point | 138-140 °C (lit.) |
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| Molecular Formula | C7H12O |
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| Molecular Weight | 112.170 |
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| Flash Point | 37.8±8.2 °C |
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| Exact Mass | 112.088814 |
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| PSA | 20.23000 |
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| LogP | 1.38 |
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| Vapour Pressure | 3.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.452 |
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| InChIKey | PUNRPAWKFTXZIW-UHFFFAOYSA-N |
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| SMILES | C#CC(O)(CC)CC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SC4857000
- CHEMICAL NAME :
- 1-Pentyn-3-ol, 3-ethyl-
- CAS REGISTRY NUMBER :
- 6285-06-9
- BEILSTEIN REFERENCE NO. :
- 1740944
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H12-O
- MOLECULAR WEIGHT :
- 112.19
- WISWESSER LINE NOTATION :
- QX2&2&1UU1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 192 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 109,268,1953
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - sleep
- REFERENCE :
- BDBU** "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institut der Universitat Breslau, Poland, 1930 Volume(issue)/page/year: -,-,1930
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Safety Information
| Symbol | GHS02 |
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| Signal Word | Warning |
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| Hazard Statements | H226 |
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| Hazard Codes | F+ |
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| Risk Phrases | R10 |
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| Safety Phrases | S16 |
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| RIDADR | UN 1987 3/PG 3 |
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| WGK Germany | 3 |
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| RTECS | SC4857000 |
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| Packaging Group | III |
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| Hazard Class | 3 |
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Synonyms
| 3-Ethylpent-1-yn-3-ol |
| MFCD00014392 |
| EINECS 228-512-1 |
| 3-Ethyl-1-pentyn-3-ol |
| 1-Pentyn-3-ol, 3-ethyl- |