(S)-(-)-3-Benzyloxy-1,2-propanediol - ≥98%(GC) , CAS No.17325-85-8

CAS: 17325-85-8 Cat. No.: S138373 Peso molecular: 182.22 Beilstein Registry Number: 2415534 PubChem CID: 6950841

GRADE & PURITY ≥98%(GC)

Synonyms

E10198 | 1,2-Propanediol, 3-(phenylmethoxy)-, (2S)- | SCHEMBL508126 | 1,2-Propanediol,3-(phenylmethoxy)-,(2S)- | J-010891 | (S)-(-)-Glycerol alpha-Benzyl Ether | LWCIBYRXSHRIAP-JTQLQIEISA-N | (S)-(-)-3-Benzyloxy-1,2-propanediol, 99% | B2142 | (2S)-3-pheny

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

E10198 | 1, 2-Propanediol, 3-(phenylmethoxy)-, (2S)- | SCHEMBL508126 | 1, 2-Propanediol, 3-(phenylmethoxy)-, (2S)- | J-010891 | (S)-(-)-Glycerol alpha-Benzyl Ether | LWCIBYRXSHRIAP-JTQLQIEISA-N | (S)-(-)-3-Benzyloxy-1, 2-propanediol, 99% | B2142 | (2S)-3-pheny

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504764401
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764401
• Sonrisas canónicas: C1=CC=C(C=C1)COCC(CO)O
• IUPAC Name: (2S)-3-phenylmethoxypropane-1,2-diol
• InChIKey: LWCIBYRXSHRIAP-JTQLQIEISA-N
• INCHI: 1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-/m0/s1
• Isómeros SMILES: C1=CC=C(C=C1)COC[C@H](CO)O
• WGK Alemania: 3
• PubChem CID: 6950841
• Peso molecular: 182.22
• Beilstein: 2415534
• Reaxy-Rn: 2415534

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Glycerol ethers Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Glycerolipid - Glycerol ether - Secondary alcohol - 1,2-diol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: heat & Moisture sensitive
• Índice de refracción: 1.53
• Rotación específica [α]: -4.0 to -7.0 deg(C=20, CHCl3)
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 261 °C
• Punto de fusión (°C): 24-26°C
• Peso molecular: 182.220 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1