Introduction：Basic information about CAS 4339-05-3|1-Hexyn-3-ol, 3-methyl-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Hexyn-3-ol, 3-methyl- |
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| CAS Number | 4339-05-3 | Molecular Weight | 112.17000 |
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| Density | 0.894g/cm3 | Boiling Point | 137.1ºC at 760mmHg |
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| Molecular Formula | C7H12O | Melting Point | / |
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| MSDS | / | Flash Point | 37.8ºC |
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Names
| Name | 3-methylhex-1-yn-3-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.894g/cm3 |
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| Boiling Point | 137.1ºC at 760mmHg |
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| Molecular Formula | C7H12O |
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| Molecular Weight | 112.17000 |
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| Flash Point | 37.8ºC |
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| Exact Mass | 112.08900 |
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| PSA | 20.23000 |
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| LogP | 1.17070 |
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| Index of Refraction | 1.451 |
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| InChIKey | DTGUZRPEDLHAAO-UHFFFAOYSA-N |
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| SMILES | C#CC(C)(O)CCC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MR0182300
- CHEMICAL NAME :
- 1-Hexyn-3-ol, 3-methyl-
- CAS REGISTRY NUMBER :
- 4339-05-3
- BEILSTEIN REFERENCE NO. :
- 1740424
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H12-O
- MOLECULAR WEIGHT :
- 112.19
- WISWESSER LINE NOTATION :
- QX3&1&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 :
- 530 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,161,1955
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Synonyms
| 3-Methyl-1-hexyn-3-ol |
| Ethynylmethylpropylcarbinol |
| 3-Methyl-hex-1-in-3-ol |
| Methyl-propyl-aethinyl-carbinol |
| 3-methyl-hex-1-yn-3-ol |
| Methylpropylacetylenylcarbinol |
| 1-HEXYN-3-OL,3-METHYL |
