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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:
1202864-73-0
Molecular Weight:
84.17
MDL number:
MFCD09842728
UNSPSC Code:
12352001
PubChem Substance ID:
329760718
NACRES:
NA.12

isotopic purity

99 atom % 13C
98 atom % D

Quality Level

200

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

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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
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H332,H335

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

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD0263
MBBC4325
MBBC1317
MBBB1304V
MBBB1085V

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Articles

¹³ C MRS to Probe Brain Metabolism Using Hyperpolarized Pyruvic Acid

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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