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Key Documents

488305

Sigma-Aldrich

Butane-1,1,1,4,4,4-d6

98 atom % D

Synonym(s):

1,1,1,4,4,4-Hexadeuterobutane

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About This Item

Linear Formula:
CD3CH2CH2CD3
CAS Number:
Molecular Weight:
64.16
MDL number:
UNSPSC Code:
12142200
PubChem Substance ID:
NACRES:
NA.12

vapor density

2.11 (vs air)

vapor pressure

51.6 psi ( 37.7 °C)

isotopic purity

98 atom % D

bp

−0.5 °C (lit.)

mp

−138 °C (lit.)

mass shift

M+6

SMILES string

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

InChI

1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D3,2D3

InChI key

IJDNQMDRQITEOD-WFGJKAKNSA-N

Packaging

Standard 500 mL quantity is packaged in a 450 mL carbon steel lecture bottle with brass CGA 110/180 valve. Nominal gas pressure at 21ºC is 17 psig for 500 mL. This pressure is slightly above atmospheric pressure. Care must be taken when extracting this product from the cylinder.
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.

Recommended products

Control valve Z146943 (brass, 1/4" hose outlet) or Z187224 (SS, 1/4" compression fitting outlet)
PTFE sealing washers GCA inlet size 180 Z146994
PTFE sealing washers CGA inlet size 110 Z146986

pictograms

FlameGas cylinder

signalword

Danger

hcodes

Hazard Classifications

Flam. Gas 1 - Press. Gas Liquefied gas

Storage Class

2A - Gases

wgk_germany

nwg

flash_point_f

Not applicable

flash_point_c

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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