(S)-(−)-2,3-Dibenzyloxy-1-propanol - ≥96% , CAS No.20196-71-8

CAS: 20196-71-8 Cat. No.: S468098 Molecular Weight: 272.34 PubChem CID: 10891006

GRADE & PURITY ≥96%

Synonyms

AKOS015889223 | DTXSID80447378 | FBDGHDWQYGJZQU-KRWDZBQOSA-N | (2S)-2,3-bis(phenylmethoxy)propan-1-ol | E84316 | (S)-(-)-1,2-DI-O-BENZYLGLYCEROL | 1-Propanol, 2,3-bis(phenylmethoxy)-, (2S)- | (2S)-2,3-bis(benzyloxy)propan-1-ol | (S)-2,3-Bis(benzyloxy)prop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS015889223 | DTXSID80447378 | FBDGHDWQYGJZQU-KRWDZBQOSA-N | (2S)-2, 3-bis(phenylmethoxy)propan-1-ol | E84316 | (S)-(-)-1, 2-DI-O-BENZYLGLYCEROL | 1-Propanol, 2, 3-bis(phenylmethoxy)-, (2S)- | (2S)-2, 3-bis(benzyloxy)propan-1-ol | (S)-2, 3-Bis(benzyloxy)prop

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504765688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765688
• Canonical Smiles: C1=CC=C(C=C1)COCC(CO)OCC2=CC=CC=C2
• IUPAC Name: (2S)-2,3-bis(phenylmethoxy)propan-1-ol
• InChIKey: FBDGHDWQYGJZQU-KRWDZBQOSA-N
• INCHI: 1S/C17H20O3/c18-11-17(20-13-16-9-5-2-6-10-16)14-19-12-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2/t17-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)COC[C@H](CO)OCC2=CC=CC=C2
• WGK Germany: 3
• PubChem CID: 10891006
• Molecular Weight: 272.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Glycerol ethers Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Glycerolipid - Glycerol ether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Refractive Index: n20/D 1.552 (lit.)
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 153-156 °C/0.4 mmHg (lit.)
• Molecular Weight: 272.340 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 272.141 Da
• Monoisotopic Mass: 272.141 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 232.000
• 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