1-Phenyl-2-propanol - ≥98%(GC) , CAS No.698-87-3

CAS: 698-87-3 Cat. No.: P160708 Fórmula: C₉H₁₂O Peso molecular: 136.19 Beilstein Registry Number: 1858670 Número EC: 211-821-0 PubChem CID: 94185

CALIDAD & PUREZA ≥98%(GC)

Synonyms

MFCD00004540 | Z513749298 | 1-(1,5-Cyclohexadien-1-yl)-2-propanone | 1-Phenyl-2-propanol | FT-0605133 | Phenethyl alcohol, .alpha.-methyl- | (+/-)-1-Phenyl-2-propanol | AMY25574 | Benzeneethanol, .alpha.-methyl- | (+/-)-.ALPHA.-METHYLBENZENEETHANOL | 4-06

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Describtion:

1-Phenyl-2-propanol is a useful pharmaceutical intermediate

Especificaciones

Sinónimos

MFCD00004540 | Z513749298 | 1-(1,5-Cyclohexadien-1-yl)-2-propanone | 1-Phenyl-2-propanol | FT-0605133 | Phenethyl alcohol, .alpha.-methyl- | (+/-)-1-Phenyl-2-propanol | AMY25574 | Benzeneethanol, .alpha.-methyl- | (+/-)-.ALPHA.-METHYLBENZENEETHANOL | 4-06

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

508807447

Sonrisas canónicas

CC(CC1=CC=CC=C1)O

IUPAC Name

1-phenylpropan-2-ol

InChIKey

WYTRYIUQUDTGSX-UHFFFAOYSA-N

INCHI

1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3

Isómeros SMILES

CC(CC1=CC=CC=C1)O

WGK Alemania

3

RTECS

SG8589500

CAS alternativo

14898-87-4

PubChem CID

94185

Peso molecular

136.19

Beilstein

1858670

Reaxy-Rn

1858667

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• Índice de refracción: 1.52
• Punto de inflamación (°F): 185 °F
• Punto de inflamación (°C): 85 °C
• Punto de ebullición (°C): 219-221°C
• Peso molecular: 136.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 84.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1