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

CAS: 698-87-3 Cat. No.: P160708 Summenformel: C₉H₁₂O Molekulargewicht: 136.19 Beilstein Registry Number: 1858670 EG-Nummer: 211-821-0 PubChem CID: 94185

GRADE & PURITY ≥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

Übersicht

Product Describtion:

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

508807447

Kanonisches Lächeln

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

Isomere SMILES

CC(CC1=CC=CC=C1)O

WGK Deutschland

3

RTECS

SG8589500

Alternative CAS-Nummer

14898-87-4

PubChem CID

94185

Molekulargewicht

136.19

Beilstein

1858670

Reaxy-Rn

1858667

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• Brechungsindex: 1.52
• Flammpunkt (°F): 185 °F
• Flammpunkt (°C): 85 °C
• Siedepunkt (°C): 219-221°C
• Molekulargewicht: 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