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589446

Sigma-Aldrich

1-Phenylethan-1,2,2,2-d4-ol

98 atom % D

Synonym(s):

sec-Phenethyl-α,β,β,β-d4 alcohol, sec-Phenethyl-1,2,2,2-d4 alcohol

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About This Item

Linear Formula:
C6H5CD(OH)CD3
CAS Number:
90162-44-0
Molecular Weight:
126.19
MDL number:
MFCD00084169
UNSPSC Code:
12352202
PubChem Substance ID:
24881240

isotopic purity

98 atom % D

bp

204 °C/745 mmHg

mp

19-20 °C

density

1.045 g/mL at 25 °C

mass shift

M+4

SMILES string

[2H]C([2H])([2H])C([2H])(O)c1ccccc1

InChI

1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/i1D3,7D

InChI key

WAPNOHKVXSQRPX-CWIRFKENSA-N

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

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

186.8 °F - closed cup

flash_point_c

86 °C - closed cup

Certificates of Analysis (COA)

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Chromatograms

suitable for GC

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