1,1-Diphenyl-2-propyn-1-ol - ≥97%(GC) , CAS No.3923-52-2

CAS: 3923-52-2 Cat. No.: D155782 Molecular Weight: 208.26 Beilstein Registry Number: 514549 EC Number: 629-508-6

GRADE & PURITY ≥97%(GC)

Synonyms

2-Propyn-1-ol,1-diphenyl- | Diphenyl-2-propyn-1-ol | Diphenylethynylcarbinol | (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid | MFCD00041570 | AMY30930 | SR-01000388957-1 | .ALPHA.-ETHYNYL-.ALPHA.-PHENYLBENZ

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1,1-Diphenyl-2-propyn-1-ol is an alkynol.

1,1-Diphenyl-2-propyn-1-ol is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used in medicine.

Specifications

Synonyms

2-Propyn-1-ol, 1-diphenyl- | Diphenyl-2-propyn-1-ol | Diphenylethynylcarbinol | (E)-7-[(1R, 2R, 3R, 5S)-3, 5-dihydroxy-2-[(E, 3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid | MFCD00041570 | AMY30930 | SR-01000388957-1 | .ALPHA.-ETHYNYL-.ALPHA.-PHENYLBENZ

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488186750
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186750
• Canonical Smiles: C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
• IUPAC Name: 1,1-diphenylprop-2-yn-1-ol
• InChIKey: SMCLTAARQYTXLW-UHFFFAOYSA-N
• INCHI: 1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H
• Isomeric SMILES: C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
• WGK Germany: 3
• RTECS: DA4796050
• Molecular Weight: 208.26
• Beilstein: 514549
• Reaxy-Rn: 514549
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=514549&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Ynones Tertiary alcohols Acetylides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Ynone - Tertiary alcohol - Acetylide - 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 diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: air sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 183°C/20mmHg
• Melt Point(°C): 47-49 °C
• Molecular Weight: 208.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 208.089 Da
• Monoisotopic Mass: 208.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 242.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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. Wei Hu, Onome Ejeromedoghene, Yunfei Xia, Guodong Fu.  (2021)  A Multi-Functional and Rapid Responsive Photochromic Hydrogel for UV Indicators.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  222  (7): (2000427).  [PMID:] [10.1002/macp.202000427]

2. Wang Zhenyu, Yang Yingguo, Luo Guizhong, Xu Wenwu, Liu Chengyu, Yang Tianqi, Ji Wenyu, Zhang Fujun, Lu Min, Zhang Yu, Wu Zhennan, Bai Xue.  (2026)  Flexible light-emitting diodes with EQE approaching 26.4% from horizontal dipole-oriented metal nanoclusters.  Nature Communications,  17  (1): (767).  [PMID:41565634] [10.1038/s41467-025-67737-x]