Introduction：Basic information about CAS 818-72-4|1-Octyn-3-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Octyn-3-ol |
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| CAS Number | 818-72-4 | Molecular Weight | 126.196 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 169.6±8.0 °C at 760 mmHg |
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| Molecular Formula | C8H14O | Melting Point | -60 °C |
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| MSDS | / | Flash Point | 63.9±0.0 °C |
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Names
| Name | 1-Octyn-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 | 169.6±8.0 °C at 760 mmHg |
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| Melting Point | -60 °C |
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| Molecular Formula | C8H14O |
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| Molecular Weight | 126.196 |
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| Flash Point | 63.9±0.0 °C |
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| Exact Mass | 126.104462 |
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| PSA | 20.23000 |
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| LogP | 2.09 |
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| Vapour Pressure | 0.5±0.7 mmHg at 25°C |
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| Index of Refraction | 1.453 |
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| InChIKey | VUGRNZHKYVHZSN-UHFFFAOYSA-N |
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| SMILES | C#CC(O)CCCCC |
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| Water Solubility | 3.4 g/L (20 ºC) |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RI2737000
- CHEMICAL NAME :
- 1-Octyn-3-ol
- CAS REGISTRY NUMBER :
- 818-72-4
- BEILSTEIN REFERENCE NO. :
- 1098642
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H14-O
- MOLECULAR WEIGHT :
- 126.22
- WISWESSER LINE NOTATION :
- QY5&1UU1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 460 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 11,692,1956
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R36/37/38 |
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| Safety Phrases | S36/37-S37/39-S26 |
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| RIDADR | 2810 |
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| WGK Germany | 3 |
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| RTECS | RI2737000 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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| HS Code | 29052990 |
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Customs
Synonyms
| (RS)-1-octyn-3-ol |
| QY6&1UU1 |
| 3-hydroxyoct-1-yne |
| 1-Octyne-3-ol |
| (+/-)-oct-1-yn-3-ol |
| 1-OCTYNOL-3 |
| EINECS 212-455-4 |
| Ethynyl n-pentyl carbinol |
| (+/-)-1-octyn-3-ol |
| Oct-1-yne-3-ol |
| Oct-1-yn-3-ol |
| 1-pentyl-2-propyn-1-ol |
| n-Amyl ethynyl carbinol |
| 1-Octyn-3-ol |
| MFCD00004588 |
