All Photos(2)
Linear Formula:
CH3CH(CH3)CH2CH(OH)CH2CH(CH3)CH3
CAS Number:
Molecular Weight:
144.25
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
80%
refractive index
n20/D 1.423 (lit.)
bp
178 °C (lit.)
density
0.809 g/mL at 25 °C (lit.)
SMILES string
CC(C)CC(O)CC(C)C
InChI
1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
InChI key
HXQPUEQDBSPXTE-UHFFFAOYSA-N
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Application
2,6-Dimethyl-4-heptanol may be used in the preparation of the protected β-hydroxybutyrates. It may also be used as a hydrogen donor during the dynamic kinetic resolution (DKR) of various diols, monoprotected diols and the protected hydroxy aldehydes.
WGK
WGK 2
Flash Point(F)
150.8 °F
Flash Point(C)
66 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Mahn Joo Kim et al.
Current opinion in biotechnology, 13(6), 578-587 (2002-12-17)
The combination of enzyme and metal catalysis is described as a useful method for the synthesis of optically active compounds. A key feature of this new methodology is the use of metal catalysts for the in situ racemization of enzymatically
Lipase/ruthenium-catalyzed dynamic kinetic resolution of hydroxy acids, diols, and hydroxy aldehydes protected with a bulky group.
M J Kim et al.
The Journal of organic chemistry, 66(13), 4736-4738 (2001-06-26)
Dynamic kinetic resolution of secondary alcohols by enzyme?metal combinations in ionic liquid.
Kim MJ, et al.
Green Chemistry, 6(9), 471-474 (2004)
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