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13738

Sigma-Aldrich

(S)-(−)-3-Benzyloxy-1,2-propanediol

puriss., ≥99.0% (sum of enantiomers, GC)

Synonym(s):

(S)-Glycerol 1-benzyl ether, 1-Benzyl-sn-glycerol

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About This Item

Linear Formula:
C6H5CH2OCH2CH(OH)CH2OH
CAS Number:
Molecular Weight:
182.22
Beilstein/REAXYS Number:
2415534
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:

grade

puriss.

assay

≥99.0% (sum of enantiomers, GC)

form

solid

optical activity

[α]20/D −5.5±0.5°, c = 20% in chloroform

bp

261 °C (lit.)

mp

24-26 °C (lit.)

storage temp.

2-8°C

SMILES string

OC[C@H](O)COCc1ccccc1

InChI

1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2/t10-/m0/s1

InChI key

LWCIBYRXSHRIAP-JTQLQIEISA-N

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Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)


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Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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