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3-Phenyl-2-propyn-1-ol - 96%, high purity , CAS No.1504-58-1
Basic Description
| Synonyms | 1-Hydroxymethyl-2-phenylacetylene | EN300-39012 | SY010793 | AKOS005216158 | 3-Phenylpropargyl Alcohol | J-008709 | 1-(phenyl)-propyn-3-ol | FT-0616332 | 2-Propyn-1-ol, 3-phenyl- | STL373382 | AMY15558 | 1-Phenyl-3-hydroxyprop-1-yne | O11048 | FT-0616331 |
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| Specifications & Purity | ≥96% |
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| Storage Temp | Store at 2-8°C |
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| Shipped In | Wet ice |
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Names and Identifiers
| IUPAC Name | 3-phenylprop-2-yn-1-ol |
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| INCHI | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,8H2 |
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| InChi Key | NITUNGCLDSFVDL-UHFFFAOYSA-N |
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| Canonical SMILES | C1=CC=C(C=C1)C#CCO |
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| Isomeric SMILES | C1=CC=C(C=C1)C#CCO |
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| WGK Germany | 3 |
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| PubChem CID | 123115 |
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| Molecular Weight | 132.16 |
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| Reaxy-Rn | 2040911 |
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Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Refractive Index | 1.585 |
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| Flash Point(°F) | >230 °F |
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| Flash Point(°C) | 110 °C |
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| Boil Point(°C) | 129-130°C |
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| Molecular Weight | 132.160 g/mol |
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| XLogP3 | 1.400 |
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| Hydrogen Bond Donor Count | 1 |
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| Hydrogen Bond Acceptor Count | 1 |
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| Rotatable Bond Count | 1 |
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| Exact Mass | 132.058 Da |
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| Monoisotopic Mass | 132.058 Da |
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| Topological Polar Surface Area | 20.200 Ų |
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| Heavy Atom Count | 10 |
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| Formal Charge | 0 |
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| Complexity | 143.000 |
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| Isotope Atom Count | 0 |
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| Defined Atom Stereocenter Count | 0 |
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| Undefined Atom Stereocenter Count | 0 |
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| Defined Bond Stereocenter Count | 0 |
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| Undefined Bond Stereocenter Count | 0 |
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| The total count of all stereochemical bonds | 0 |
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| Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
| Pictogram(s) | GHS07 |
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| Signal | Warning |
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| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
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| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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| WGK Germany | 3 |
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| Reaxy-Rn | 2040911 |
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