13738
(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:
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 Code
13 - Non Combustible Solids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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