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25779-13-9

25779-13-9 Structure

25779-13-9 Structure
IdentificationMore
[Name]

(S)-(+)-1-Phenyl-1,2-ethanediol
[CAS]

25779-13-9
[Synonyms]

(S)-(+)-1,2-PHENYLETHANEDIOL
(S)-(-)-1-PHENYL-1,2-ETHANEDIOL
(S)-(+)-1-PHENYL-1,2-ETHANEDIOL
(S)-1-PHENYL-1,2-ETHANEDIOL
(S)-(+)-1-PHENYLETHANE-1,2-DIOL
(S)-(+)-1-PHENYLETHANEDIOL
(S)-(+)-ALPHA,BETA-DIHYDROXYETHYLBENZENE
(S)-ALPHA,BETA-DIHYDROXYETHYLBENZENE
(S)-(+)-PHENYL-1,2-ETHANEDIOL
S(+)-PHENYLETHYLENE GLYCOL
(S)-(+)-STYRENEGLYCOL
(S)-STYRENE GLYCOL
STYRENE GLYCOL
(S)-(+)-1-Phenyl-1,2-ethanediol, 99+%
styreneglycol,styreneglycol(1-phenyl1,2-ethanediol)
(S)-(+)-1-PHENYLETHANE-1,2-DIOL 98+%
(+)-Styrene glycol, (S)-(+)-Phenylethylene glycol
(1S)-1-Phenyl-1,2-ethanediol
(2S)-2-Phenylethylene glycol
(S)-α-(Hydroxymethyl)benzenemethanol
[Molecular Formula]

C8H10O2
[MDL Number]

MFCD00066256
[Molecular Weight]

138.16
[MOL File]

25779-13-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

64-67 °C(lit.)
[alpha ]

66 º (c=1, chloroform)
[Boiling point ]

272-274 °C (755 mmHg)
[density ]

1.0742 (rough estimate)
[refractive index ]

40 ° (C=3, H2O)
[Fp ]

320 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.61±0.20(Predicted)
[color ]

Off-White
[Optical Rotation]

[α]18/D +66°, c = 1 in chloroform
[Water Solubility ]

soluble
[BRN ]

3196197
[InChI]

1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1
[InChIKey]

PWMWNFMRSKOCEY-MRVPVSSYSA-N
[SMILES]

OC[C@@H](O)c1ccccc1
[CAS DataBase Reference]

25779-13-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29062990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

(S)-(+)-1-Phenyl-1,2-ethanediol is white to light yellow crystal powde
[Uses]

(S)-(+)-1-Phenyl-1,2-ethanediol used as a chiral building block in organic synthesis, used in the preparation of chiral 2-amino-1-phenylethanols as pharmaceutical intermediates.
[Uses]

Extremely valuable and versatile alcohol used as a chiral building block in organic synthesis, used in the preparation of chiral 2-amino-1-phenylethanols as pharmaceutical intermediates.
[Biosynthesis]

Terminal vicinal diols are important chiral building blocks and intermediates in organic synthesis. Reduction of α-hydroxy ketones provides a straightforward approach to access these important compounds. It has been found that asymmetric reduction of a series of α-hydroxy aromatic ketones and 1-hydroxy-2-pentanone, catalyzed by Candida magnolia carbonyl reductase (CMCR) with glucose dehydrogenase (GDH) from Bacillus subtilis for cofactor regeneration, afforded 1-aryl-1,2-ethanediols ((S)-(+)-1-Phenyl-1,2-ethanediol) and pentane-1,2-diol, respectively, in up to 99 % ee.[1]
[Purification Methods]

Purify the diol by recrystallisation from *C6H6/ligroin and sublime it at 1-2mm. [Arpesella et al. Gazetta 85 1354 1955, Prelog et al. Helv Chim Acta 37 221 1954, Beilstein 6 IV 5939.]
[References]

[1] Highly Efficient Synthesis of Optically Pure (S)-1-phenyl-1,2-ethanediol by a Self-Sufficient Whole Cell Biocatalyst. DOI:10.1002/open.201500045
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-1-Phenyl-1,2-ethanediol(25779-13-9)1HNMR
(S)-(+)-1-Phenyl-1,2-ethanediol(25779-13-9)IR
(S)-(+)-1-Phenyl-1,2-ethanediol(25779-13-9)Raman
(S)-(+)-1-Phenyl-1,2-ethanediol(25779-13-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(S)-(+)-1-Phenyl-1,2-ethanediol, 99+%(25779-13-9)
[Alfa Aesar]

(S)-(+)-Phenyl-1,2-ethanediol, 97%(25779-13-9)
[Sigma Aldrich]

25779-13-9(sigmaaldrich)
[TCI AMERICA]

(S)-(+)-1-Phenylethane-1,2-diol,>98.0%(GC)(25779-13-9)
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