(S)-(-)-1,1,2-Triphenyl-1,2-ethanediol - ≥98% , CAS No.108998-83-0

CAS: 108998-83-0 Cat. No.: I165871 Molecular Weight: 290.36 EC Number: 624-788-6

GRADE & PURITY ≥98%

Synonyms

AC-8872 | (S)-2,2,1-Triphenyl-ethane-1,2-diol | MFCD00075492 | (S)-1,1,2-Triphenyl-1,2-ethanediol | DTXSID501294087 | AKOS015912172 | SCHEMBL2172547 | GWVWUZJOQHWMFB-IBGZPJMESA-N | (2S)-1,1,2-Triphenyl-1,2-ethanediol | (2S)-1,1,2-triphenylethane-1,2-diol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-8872 | (S)-2, 2, 1-Triphenyl-ethane-1, 2-diol | MFCD00075492 | (S)-1, 1, 2-Triphenyl-1, 2-ethanediol | DTXSID501294087 | AKOS015912172 | SCHEMBL2172547 | GWVWUZJOQHWMFB-IBGZPJMESA-N | (2S)-1, 1, 2-Triphenyl-1, 2-ethanediol | (2S)-1, 1, 2-triphenylethane-1, 2-diol

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195969
• Canonical Smiles: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
• IUPAC Name: (2S)-1,1,2-triphenylethane-1,2-diol
• InChIKey: GWVWUZJOQHWMFB-IBGZPJMESA-N
• INCHI: 1S/C20H18O2/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,21-22H/t19-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)[C@@H](C(C2=CC=CC=C2)(C3=CC=CC=C3)O)O
• WGK Germany: 3
• Molecular Weight: 290.36
• Reaxy-Rn: 1885140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1885140&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Tertiary alcohols Secondary alcohols 1,2-diols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Secondary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Melt Point(°C): 128 °C
• Molecular Weight: 290.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 290.131 Da
• Monoisotopic Mass: 290.131 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 305.000
• 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

References

1. Chengjian Zhang, Sichen Li, Ruijie Zheng, Shengdi Tai, Kang Yang, Kun Zhang.  (2022)  Highly selective and discriminative detection of small alcohols based on a dual-emission macrocyclic samarium complex.  Analytical Methods,  15  (3): (361-367).  [PMID:36597717] [10.1039/D2AY01591A]

2. Yangzi Shangguan, Ranhao Wang, Huan Tang, Shimao Deng, Qiushi Hu, Jiaxin Liang, Huiling Zhou, Xihan Chen, Hong Chen.  (2025)  Modulation of Charge-Ordered Carriers Within 3D Fe3S4 Polyurethane Foam (Fe3S4-PUF) for Efficient Iron Redox Cycling and Continuous-Flow Photocatalytic Antibiotics Degradation.  Small,      [PMID:40095300] [10.1002/smll.202411116]