Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

303003

Sigma-Aldrich

Hexane-d14

99 atom % D

Synonym(s):

Tetradecadeuterohexane

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CD3(CD2)4CD3
CAS Number:
21666-38-6
Molecular Weight:
100.26
Beilstein:
1841418
MDL number:
MFCD00037562
UNSPSC Code:
12142201
PubChem Substance ID:
24858287
NACRES:
NA.21

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

Looking for similar products? Visit Product Comparison Guide

General description

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

Recommended products

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.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MBBD2719
MBBC8673
MBBC8241
MBBC7899
MBBC4478

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
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
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)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service