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541486

Sigma-Aldrich

2,6-Dimethyl-4-heptanol

80%

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About This Item

Linear Formula:
CH3CH(CH3)CH2CH(OH)CH2CH(CH3)CH3
CAS Number:
108-82-7
Molecular Weight:
144.25
EC Number:
203-619-6
MDL number:
MFCD00008944
UNSPSC Code:
12352100
PubChem Substance ID:
24878539
NACRES:
NA.22

Quality Level

100

Assay

80%

refractive index

n20/D 1.423 (lit.)

bp

178 °C (lit.)

density

0.809 g/mL at 25 °C (lit.)

functional group

hydroxyl

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.

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

150.8 °F - closed cup

Flash Point(C)

66 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL4342
MKCD8230
MKCC2596
MKBX9523V
MKBV1468V

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Dynamic kinetic resolution of secondary alcohols by enzyme?metal combinations in ionic liquid.
Kim MJ, et al.
Green Chemistry, 6(9), 471-474 (2004)
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)
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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

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