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303003

Hexane-d14

99 atom % D

Synonym(s):

Tetradecadeuterohexane

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About This Item

Linear Formula:
CD3(CD2)4CD3
CAS Number:
21666-38-6
Molecular Weight:
100.26
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24858287
MDL number:
MFCD00037562
Beilstein/REAXYS Number:
1841418
Isotopic purity:
99 atom % D
Assay:
99% (CP)
Mass shift:
M+14
Form:
liquid
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vapor density

3 (vs air)

Quality Level

200

vapor pressure

132 mmHg ( 20 °C)

isotopic purity

99 atom % D

assay

99% (CP)

form

liquid

expl. lim.

7.7 %

technique(s)

NMR: suitable

impurities

≤0.5% water
water

refractive index

n20/D 1.3718 (lit.)

bp

69 °C

mp

-95 °C (lit.)

density

0.767 g/mL at 25 °C (lit.)

mass shift

M+14

SMILES string

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

InChI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2

InChI key

VLKZOEOYAKHREP-ZLKPZJALSA-N

General description

Hexane-d14 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Other Notes

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This Item
490482296147151866
Hexane-d14 99 atom % D

Sigma-Aldrich

303003

Hexane-d14

Pentane-d12 98 atom % D

Sigma-Aldrich

490482

Pentane-d12

Dimethyl sulfoxide-d6 99.9 atom % D, contains 0.03 % (v/v) TMS

Sigma-Aldrich

296147

Dimethyl sulfoxide-d6

Cyclohexane-d12 ≥99.6 atom % D

Sigma-Aldrich

151866

Cyclohexane-d12

assay

99% (CP)

assay

99% (CP)

assay

99% (CP)

assay

≥99% (CP)

isotopic purity

99 atom % D

isotopic purity

98 atom % D

isotopic purity

99.9 atom % D

isotopic purity

≥99.6 atom % D

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

mass shift

M+14

mass shift

M+12

mass shift

M+6

mass shift

M+12

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

form

liquid

form

liquid

form

liquid

form

liquid

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

target_organs

Central nervous system, Nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD6830
MBBD3521
MBBD2719
MBBC8673
MBBC8241

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Related Content

A G Stepanov et al.
The European physical journal. E, Soft matter, 12(1), 57-61 (2004-03-10)
The translational and rotational dynamics of n-hexane adsorbed in ZSM-5 and 5A zeolites has been studied by neutron scattering and deuterium solid-state NMR, at various temperatures. The dynamics of n-hexane is quite different in the two zeolites. In the ZSM-5
Oluwasola Lawal et al.
Metabolomics : Official journal of the Metabolomic Society, 14(5), 66-66 (2018-05-05)
Infections such as ventilator-associated pneumonia (VAP) can be caused by one or more pathogens. Current methods for identifying these pathogenic microbes often require invasive sampling, and can be time consuming, due to the requirement for prolonged cultural enrichment along with
Vibration spectra and rotational isomerism of chain molecules. II. Butane, pentane, hexane, pentane-d12, and hexane-d14.
Harada I, et al.
Bulletin of the Chemical Society of Japan, 50(1), 102-110 (1977)
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Global Trade Item Number

SKUGTIN
303003-1G04061837614156
303003-5G04061837614163

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