Introduction：Basic information about CAS 3230-69-1|3-Methyl-1-penten-4-yn-3-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methyl-1-penten-4-yn-3-ol |
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| CAS Number | 3230-69-1 | Molecular Weight | 96.127 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 127.7±20.0 °C at 760 mmHg |
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| Molecular Formula | C6H8O | Melting Point | / |
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| MSDS | / | Flash Point | 29.2±14.1 °C |
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Names
| Name | 3-methylpent-1-en-4-yn-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 | 127.7±20.0 °C at 760 mmHg |
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| Molecular Formula | C6H8O |
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| Molecular Weight | 96.127 |
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| Flash Point | 29.2±14.1 °C |
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| Exact Mass | 96.057518 |
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| PSA | 20.23000 |
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| LogP | 0.67 |
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| Vapour Pressure | 5.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.468 |
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| InChIKey | VBATUBQIYXCZPA-UHFFFAOYSA-N |
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| SMILES | C#CC(C)(O)C=C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SB4950000
- CHEMICAL NAME :
- 1-Penten-4-yn-3-ol, 3-methyl-
- CAS REGISTRY NUMBER :
- 3230-69-1
- BEILSTEIN REFERENCE NO. :
- 1740552
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H8-O
- MOLECULAR WEIGHT :
- 96.14
- WISWESSER LINE NOTATION :
- 1UU1XQ1&1U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1350 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: 107,459,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1100 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: 107,459,1953
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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-S37/39-S26 |
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| RIDADR | UN 1760 8/PG 2 |
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| WGK Germany | 1 |
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| RTECS | SB4950000 |
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| Hazard Class | 8.0 |
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| HS Code | 2905290000 |
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Customs
| HS Code | 2905290000 |
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| Summary | 2905290000 unsaturated monohydric alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 3-Methyl-1-penten-4-yn-3-ol |
| 1UU1XQ1&1U1 |
| 3-Methyl pent-4-en-l-yn-3-0L |
| EINECS 221-770-6 |
| 3-methyl-4-penten-1-yn-3-ol |
| 3-methyl-pent-1-en-4-yne-3-ol |
| 1-Penten-4-yn-3-ol,3-methyl |
| 1740552 |
| 3-methyl-1-pentene-4-yn-3-ol |
| MFCD01709006 |
| 3-Methylpent-1-en-4-yn-3-ol |
| 1-Penten-4-yn-3-ol, 3-methyl- |
| 3-methyl-pent-1-en-4-yn-3-ol |
| 3-Methyl-pent-4-en-1-yn-3-Ol |
| Ethynyl methyl vinyl carbinol |
