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456500

Methyl 4-methoxybutyrate

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About This Item

Linear Formula:
CH3O(CH2)3CO2CH3
CAS Number:
29006-01-7
Molecular Weight:
132.16
NACRES:
NA.22
PubChem Substance ID:
24869190
UNSPSC Code:
12352100
MDL number:
MFCD00274316
Assay:
98%
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Quality Level

100

assay

98%

refractive index

n20/D 1.408 (lit.)

bp

162-164 °C/767 mmHg (lit.)

density

0.969 g/mL at 25 °C (lit.)

functional group

ester, ether

SMILES string

COCCCC(=O)OC

InChI

1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3

InChI key

VHDGWXQBVWAMJA-UHFFFAOYSA-N

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

129.2 °F - closed cup

flash_point_c

54 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000115392
0000069942
0000065828
0000040229
0000000245

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Carlos Alemán et al.
The Journal of organic chemistry, 70(19), 7731-7736 (2005-09-10)
[structure: see text] A systematic conformational study of omega-methoxy methyl esters, CH(3)O-(CH2)n-COO-CH3 with n = 3 and 4, has been performed using quantum mechanical calculations at the MP2 level. Calculations have been carried out in both gas phase and chloroform
Maria Cammenberg et al.
Chembiochem : a European journal of chemical biology, 7(11), 1745-1749 (2006-09-23)
One of the commercial methods for preparing enantiopure amines is lipase-catalyzed kinetic resolution, although lipases catalyze aminolysis with only low activity. Interestingly, in 1997 Balkenhohl et al. used ethyl methoxyacetate instead of ethyl butyrate as an acylation reagent for the

Global Trade Item Number

SKUGTIN
456500-25ML04061836692391