Introduction：Basic information about CAS 127-66-2|UNII:4TR9Q57OTG, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | UNII:4TR9Q57OTG |
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| CAS Number | 127-66-2 | Molecular Weight | 146.186 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 217.5±0.0 °C at 760 mmHg |
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| Molecular Formula | C10H10O | Melting Point | 48-52 °C |
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| MSDS | / | Flash Point | 96.1±0.0 °C |
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Names
| Name | (±)-2-Phenyl-3-butyn-2-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 217.5±0.0 °C at 760 mmHg |
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| Melting Point | 48-52 °C |
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| Molecular Formula | C10H10O |
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| Molecular Weight | 146.186 |
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| Flash Point | 96.1±0.0 °C |
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| Exact Mass | 146.073166 |
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| PSA | 20.23000 |
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| LogP | 1.80 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.554 |
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| InChIKey | KSLSOBUAIFEGLT-UHFFFAOYSA-N |
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| SMILES | C#CC(C)(O)c1ccccc1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ES0840000
- CHEMICAL NAME :
- 3-Butyn-2-ol, 2-phenyl-
- CAS REGISTRY NUMBER :
- 127-66-2
- BEILSTEIN REFERENCE NO. :
- 1100096
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C10-H10-O
- MOLECULAR WEIGHT :
- 146.20
- WISWESSER LINE NOTATION :
- QX1&R&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 :
- 620 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: 4,477,1954
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22 |
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| Safety Phrases | S22-S24/25 |
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| WGK Germany | 3 |
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| RTECS | ES0840000 |
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| HS Code | 2906299090 |
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Customs
| HS Code | 2906299090 |
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| Summary | 2906299090 other aromatic 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
| UNII:4TR9Q57OTG |
| α-Ethynyl-α-methylbenzenemethanol |
| 2-Phenyl-3-butyn-2-ol |
| 2-phenylbut-3-yn-2-ol |
| Benzenemethanol, α-ethynyl-α-methyl- |
| 3-Hydroxy-3-phenyl-1-butyne |
| EINECS 204-855-2 |
| Benzyl alcohol, α-ethynyl-α-methyl- |
| MFCD00004454 |
