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About This Item
Empirical Formula (Hill Notation):
C13H18O5S
CAS Number:
Molecular Weight:
286.34
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
89800
Assay:
≥99.0% (sum of enantiomers, GC)
Form:
solid
InChI
1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1
SMILES string
Cc1ccc(cc1)S(=O)(=O)OC[C@H]2COC(C)(C)O2
InChI key
SRKDUHUULIWXFT-LLVKDONJSA-N
assay
≥99.0% (sum of enantiomers, GC)
form
solid
optical activity
[α]/D −7.0±0.5°, neat
storage temp.
−20°C
Other Notes
Chiral building block
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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K.C. Nicolaou et al.
Journal of the Chemical Society. Chemical Communications, 349-349 (1984)
S.K. Bhatia et al.
Tetrahedron Letters, 28, 1729-1729 (1987)
C. Andre et al.
Tetrahedron Asymmetry, 9, 1359-1359 (1998)
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