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Merck
CN

448168

Hexanoic-d11 acid

98 atom % D

Synonym(s):

Caproic acid-d11,OH

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About This Item

Linear Formula:
CD3(CD2)4CO2H
CAS Number:
95348-44-0
Molecular Weight:
127.23
NACRES:
NA.12
PubChem Substance ID:
24868386
UNSPSC Code:
12352106
MDL number:
MFCD00144449

Key Documents

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Product Name

Hexanoic-d11 acid, 98 atom % D

InChI

1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i1D3,2D2,3D2,4D2,5D2

SMILES string

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(O)=O

InChI key

FUZZWVXGSFPDMH-GILSBCIXSA-N

isotopic purity

98 atom % D

assay

99% (CP)

refractive index

n20/D 1.412 (lit.)

bp

202-203 °C (lit.)

mp

-3 °C (lit.)

density

1.015 g/mL at 25 °C

mass shift

M+11

Quality Level

200

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Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1C

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 1

flash_point_f

215.6 °F - closed cup

flash_point_c

102.00 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBF0034
MBBC8823
CX0176
11715KN
02341EB

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Elizabeth L Onderko et al.
Nature chemistry, 9(7), 623-628 (2017-06-24)
Strong electron-donation from the axial thiolate ligand of cytochrome P450 has been proposed to increase the reactivity of compound I with respect to C-H bond activation. However, it has proven difficult to test this hypothesis, and a direct link between
Liq. Cryst., 8, 31-31 (1990)
Amélie Slegers et al.
Molecules (Basel, Switzerland), 20(6), 10980-11016 (2015-06-18)
Developed from crosses between Vitis vinifera and North American Vitis species, interspecific hybrid grape varieties are becoming economically significant in northern areas, where they are now extensively grown for wine production. However, the varietal differences between interspecific hybrids are not

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