13738
(S)-(-)-3-苄氧基-1,2-丙二醇
puriss., ≥99.0% (sum of enantiomers, GC)
别名:
(S)-甘油 1-苄酯, 1-苄基-sn-甘油
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线性分子式:
C6H5CH2OCH2CH(OH)CH2OH
化学文摘社编号:
分子量:
182.22
PubChem Substance ID:
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
2415534
MDL number:
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
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
存储类别
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
法规信息
新产品
此项目有
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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