1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)- supplier

Name
(S)-(-)-2-HYDROXY-1,2,2-TRIPHENYLETHYL ACETATE
EINECS
CAS No. 95061-51-1
Article Data5
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point 246-249 °C
Formula C₂₂H₂₀O₃
Boiling Point 487.647 °C at 760 mmHg
Molecular Weight 332.399
Flash Point 197.557 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (S)-;(S)-(-)-2-Hydroxy-1,2,2-triphenyl acetate;(S)-(-)-HYTRA;(S)-1,1,2-Triphenyl-1,2-ethanediol 2-acetate;(S)-2-Acetoxy-1,1,2-triphenylethanol;
PSA
LogP

1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)- Specification

The systematic name of 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)- is (1S)-2-hydroxy-1,2,2-triphenylethyl acetate. With the CAS registry number 95061-51-1, it is also named as (S)-(-)-1,1,2-Triphenyl-1,2-ethandiol-2-acetate. The product's categories are Chiral; Chiral Compound. Besides, it is white to light yellow crystal powder which is stable under room temperature and pressure. In addition, its molecular formula is C₂₂H₂₀O₃and molecular weight is 332.39. When you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of 1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)- can be summarized as: (1)ACD/LogP: 4.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Index of Refraction: 1.603; (7)Molar Refractivity: 96.83 cm³; (8)Molar Volume: 281.6 cm³; (9)Polarizability: 38.38×10^-24cm³; (10)Surface Tension: 48.1 dyne/cm; (11)Enthalpy of Vaporization: 79.37 kJ/mol; (12)Vapour Pressure: 2.53E-10 mmHg at 25 °C; (13)Rotatable Bond Count: 6; (14)Exact Mass: 332.141245; (15)MonoIsotopic Mass: 332.141245; (16)Topological Polar Surface Area: 46.5; (17)Heavy Atom Count: 25; (18)Complexity: 397; (19)Defined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure.
(1) SMILES:O=C(O[C@@H](c1ccccc1)C(O)(c2ccccc2)c3ccccc3)C
(2)2InChI:InChI=1/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
(3) InChIKey:GXLZCXZLVDUDHP-NRFANRHFBC
(4)Std. InChI:InChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1
(5) Std. InChIKey:GXLZCXZLVDUDHP-NRFANRHFSA-N

Product Name

(S)-(-)-2-HYDROXY-1,2,2-TRIPHENYLETHYL ACETATE

1,2-Ethanediol,1,1,2-triphenyl-, 2-acetate, (2S)- Specification

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