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2-METIL-4-FENILO-3-BUTIN-2-OL
1. Nombres y Identificadores
- 1.1 Nombre del producto
- 2-METIL-4-FENILO-3-BUTIN-2-OL
- 1.2 Sinónimos
- 4-PHENYL-2-METHYLBUTYN-2-OL;RARECHEM AQ A1 0025;TIMTEC-BB SBB008964;1,1-Dimethyl-3-phenyl-2-propyne-1-ol;1,1-Dimethyl-3-phenylpropargyl alcohol;1-Phenyl-3-methyl-1-butyne-3-ol;3-Methyl-1-phenyl-1-butyne-3-ol;3-Phenyl-1,1-dimethyl-2-propyn-1-ol
- 1.3 CAS No.
- 1719-19-3
- 1.4 CID
- 288327
- 1.5 Fórmula molecular
- C11H12O
- 1.6 Inchi
- InChI=1S/C11H12O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,1-2H3
- 1.7 InchiKey
- FUPXYICBZMASCM-UHFFFAOYSA-N
- 1.8 Canónico SMILES
- CC(C)(C#CC1=CC=CC=C1)O
- 1.9 Isómero SMILES
- CC(C)(C#CC1=CC=CC=C1)O
2. Propiedades
- 2.1 Punto de fusión
- 48 49-° C
- 2.2 pKa
- 13.07±0.29(Predicted)
3. Seguridad
- 3.1 Frase R
- 36/37/38
- 3.2 Frase S
- 26-36/37/39
- 3.3 Seguridad y riesgos
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| Frase R |
36/37/38 |
| Frase S |
26-36/37/39 |
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Árbol de objetos
1719-19-3Total: 27 Árbol de objetos
6. Precursores y productos
7. Datos químicos computacionales
- Molecular Weight：160.216g/mol
- Molecular Formula：C11H12O
- Compound Is Canonicalized：True
- Exact Mass：2
- XLogP3-AA：160.088815002
- Monoisotopic Mass：160.088815002
- Complexity：198
- Rotatable Bond Count：2
- Hydrogen Bond Donor Count：1
- Hydrogen Bond Acceptor Count：1
- Topological Polar Surface Area：20.2
- Heavy Atom Count：：12
- Defined Atom Stereocenter Count：0
- Undefined Atom Stereocenter Count：0
- Defined Bond Stereocenter Count：0
- Undefined Bond Stereocenter Count：0
- Isotope Atom Count：0
- Covalently-Bonded Unit Count：1
- CACTVS Substructure Key Fingerprint：AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADESAmAAyAIAAAgDAEiBCAAgCAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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Tel:
Update Time:2024/06/17
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Tel:
Update Time:2019/11/25
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Update Time:2019/11/25
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Update Time:2019/11/25
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Tel:
Update Time:2019/11/25
9. información real del producto
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