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303003

Sigma-Aldrich

Hexane-d14

99 atom % D

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Synonym(s):
Tetradecadeuterohexane
Linear Formula:
CD3(CD2)4CD3
CAS Number:
Molecular Weight:
100.26
Beilstein/REAXYS Number:
1841418
MDL number:
PubChem Substance ID:
NACRES:
NA.21

vapor density

3 (vs air)

Quality Level

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

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1 of 4

This Item
490482296147151866
vibrant-m

303003

Hexane-d14

vibrant-m

490482

Pentane-d12

vibrant-m

296147

Dimethyl sulfoxide-d6

vibrant-m

151866

Cyclohexane-d12

isotopic purity

99 atom % D

isotopic purity

98 atom % D

isotopic purity

99.9 atom % D

isotopic purity

≥99.6 atom % D

assay

99% (CP)

assay

99% (CP)

assay

99% (CP)

assay

≥99% (CP)

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

technique(s)

NMR: suitable

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

form

liquid

form

liquid

form

liquid

form

liquid

General description

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

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Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

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_germany

WGK 2

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup


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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
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)
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
Pouline M P van Oort et al.
BMC pulmonary medicine, 17(1), 1-1 (2017-01-05)
The diagnosis of ventilator-associated pneumonia (VAP) remains time-consuming and costly, the clinical tools lack specificity and a bedside test to exclude infection in suspected patients is unavailable. Breath contains hundreds to thousands of volatile organic compounds (VOCs) that result from

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