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Safety Information

679860

Sigma-Aldrich

tert-Butan-1-13C, d9-ol

98 atom % D, 99 atom % 13C, 97% (CP)

Synonym(s):

2-Methyl-d3-2-propanol-2-13C-1,1,1,3,3,3-d6, tert-Butyl-1-13C, d9 alcohol

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About This Item

Linear Formula:
13C(CD3)3OH
CAS Number:
Molecular Weight:
84.17
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

99 atom % 13C
98 atom % D

Quality Level

Assay

97% (CP)

bp

83 °C

mp

23-26 °C

density

0.878 g/mL at 25 °C

mass shift

M+10

SMILES string

[2H]C([2H])([2H])[13C](O)(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,4+1

InChI key

DKGAVHZHDRPRBM-KOKDSCFFSA-N

Related Categories

Packaging

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.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

52.0 °F - closed cup

Flash Point(C)

11.1 °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
Type 1 petroleums
Hazardous rank II
Water soluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

679860-VAR:
679860-1G:
679860-2G:
679860-BULK:


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Articles

We present an article about the hyperpolarization of 13C labeled metabolites, especially pyruvic acid, using dynamic nuclear polarization (DNP) that allows real-time magnetic resonance spectroscopy.

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