Skip to Content
Merck
All Photos(1)

Key Documents

Safety Information

490482

Sigma-Aldrich

Pentane-d12

98 atom % D

Sign Into View Organizational & Contract Pricing


About This Item

Linear Formula:
CD3(CD2)3CD3
CAS Number:
Molecular Weight:
84.22
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21

isotopic purity

98 atom % D

Quality Level

Assay

99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.358 (lit.)

bp

36 °C (lit.)

mp

-130 °C (lit.)

density

0.731 g/mL at 25 °C (lit.)

mass shift

M+12

SMILES string

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

InChI

1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2

InChI key

OFBQJSOFQDEBGM-HYVJACIRSA-N

General description

Pentane-d12 is a deuterated NMR solvent 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 Statements

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-56.2 °F - closed cup

Flash Point(C)

-49.00 °C - closed cup


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Special flammables
Hazardous rank I

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

490482-BULK:
490482-VAR:
490482-5G:4548173352220
490482-5G-PW:
490482-5X5G-N:


Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number

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.

Already Own This Product?

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

Visit the Document Library

Flocculation behavior of asphaltenes in solvent/nonsolvent systems.
Ostlund JA, et al.
Journal of Colloid and Interface Science, 253(1), 150-158 (2002)

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