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Key Documents

232580

Sigma-Aldrich

Ethyl 2-hydroxyhexanoate

98%

Synonym(s):

Ethyl 2-hydroxycaproate

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About This Item

Linear Formula:
CH3(CH2)3CH(OH)COOC2H5
CAS Number:
Molecular Weight:
160.21
Beilstein/REAXYS Number:
1704446
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

refractive index

n20/D 1.424 (lit.)

bp

195 °C (lit.)

density

0.967 g/mL at 25 °C (lit.)

SMILES string

CCCCC(O)C(=O)OCC

InChI

1S/C8H16O3/c1-3-5-6-7(9)8(10)11-4-2/h7,9H,3-6H2,1-2H3

InChI key

MRYSSTRVUMCKKB-UHFFFAOYSA-N

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General description

Enantioselective transesterification reaction of ethyl 2-hydroxyhexanoate catalyzed by lipase has been reported[1].

Application

Ethyl 2-hydroxyhexanoate was used as starting material during the stereospecific synthesis of 2-fluorohexanoic acid[2].

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

208.4 °F - closed cup

flash_point_c

98 °C - closed cup

ppe

Eyeshields, Gloves


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Lipase-catalysed reactions of chiral hydroxyacid esters: competition of esterification and transesterification.
Engel K-H, et al.
Enzyme and Microbial Technology, 13(8), 655-660 (1991)
Simple Stereospecific Syntheses of (R)-2-Fluorohexanoic Acid Ethyl Ester.
Focella A, et al.
Synthetic Communications, 21(21), 2165-2170 (1991)

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