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| CAS No.: | 5928-67-6 |
|---|---|
| Name: | (S)-(+)-BENZOIN |
| Article Data: | 135 |
| Molecular Structure: | |
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| Formula: | C14H12O2 |
| Molecular Weight: | 212.248 |
| Synonyms: | (+)-2-Hydroxy-2-phenylacetophenone;(+)-Benzoin;(S)-Benzoin;D-Benzoin;S-(+)-Benzoin;Ethanone, 2-hydroxy-1,2-diphenyl-, (S)-;(+)-2-Hydroxy-1,2-diphenylethanone;Benzoin,(+)- (8CI); |
| EINECS: | 204-331-3 |
| Density: | 1.179 g/cm3 |
| Melting Point: | 135-137 °C (lit.) |
| Boiling Point: | 343 °C at 760 mmHg |
| Flash Point: | 154.8 °C |
| PSA: | 37.30000 |
| LogP: | 2.60290 |
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Specification
The Ethanone, 2-hydroxy-1, 2-diphenyl-, (2S)-, with the CAS registry number 5928-67-6, is also known as (S)-(+)-Benzoin. This chemical's molecular formula is C14H12O2 and molecular weight is 212.24. What's more, its systematic name is (2S)-2-Hydroxy-1, 2-diphenylethanone. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from strong oxidant.
Physical properties about Ethanone, 2-hydroxy-1, 2-diphenyl-, (2S)- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.48; (6)ACD/BCF (pH 7.4): 24.48; (7)ACD/KOC (pH 5.5): 343.34; (8)ACD/KOC (pH 7.4): 343.33; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 62.3 cm3; (15)Molar Volume: 179.9 cm3; (16)Polarizability: 24.7×10-24 cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 154.8 °C; (20)Enthalpy of Vaporization: 61.93 kJ/mol; (21)Boiling Point: 343 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-05 mmHg at 25 °C.
Preparation of Ethanone, 2-hydroxy-1, 2-diphenyl-, (2S)-: this chemical is prepared by (S)-Triphenyl-ethane-1, 2-diol at ambient temperature. The reaction time is 2 hours. The yield is about 75 %.
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Uses of Ethanone, 2-hydroxy-1, -diphenyl-, (2S)-: it is used to produce other chemicals. For example, it is used to produce meso-1, 2-Diphenyl-ethane-1, 2-diol. The reaction needs reagent Lithium aluminium hydride and solvent Diethyl ether. The reaction time is 2 hours with reaction temperature of 0 °C. The yield is about 81 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)[C@@H](O)c2ccccc2
(2) InChI: InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H/t13-/m0/s1
(3) InChIKey: ISAOCJYIOMOJEB-ZDUSSCGKBR