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176060

Sigma-Aldrich

Phenol-d6

99 atom % D

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Synonym(s):
Hexadeuterophenol
Linear Formula:
C6D5OD
CAS Number:
Molecular Weight:
100.15
Beilstein/REAXYS Number:
2255089
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.12

vapor density

3.24 (vs air)

Quality Level

vapor pressure

0.36 mmHg ( 20 °C)

isotopic purity

99 atom % D

assay

99% (CP)

form

solid

autoignition temp.

1319 °F

expl. lim.

8.6 %

bp

182 °C (lit.)

mp

40-42 °C (lit.)

density

1.140 g/mL at 25 °C

mass shift

M+6

SMILES string

[2H]Oc1c([2H])c([2H])c([2H])c([2H])c1[2H]

InChI

1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D/hD

InChI key

ISWSIDIOOBJBQZ-QNKSCLMFSA-N

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Show Differences

1 of 4

This Item
486957490512591742
vibrant-m

176060

Phenol-d6

vibrant-m

486957

Phenol-3,5-d2

vibrant-m

490512

Phenol-2,4,6-d3

vibrant-m

591742

Phenol-2,4,6-d3,OD

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

isotopic purity

99 atom % D

isotopic purity

97 atom % D

isotopic purity

≥98 atom % D

isotopic purity

98 atom % D

mass shift

M+6

mass shift

M+2

mass shift

M+3

mass shift

M+4

autoignition temp.

1319 °F

autoignition temp.

-

autoignition temp.

-

autoignition temp.

-

vapor pressure

0.36 mmHg ( 20 °C)

vapor pressure

-

vapor pressure

-

vapor pressure

-

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.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Muta. 2 - Skin Corr. 1B - STOT RE 2

Storage Class

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 2

flash_point_f

174.2 °F - closed cup

flash_point_c

79.0 °C - closed cup


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Physical chemistry chemical physics : PCCP, 22(18), 10219-10226 (2020-05-01)
Aromatic cation ionic liquids (ILs) based on alkylpyridiniums are shown to be good phenol extractants from model oils (hexane/toluene). ILs with hard basic anions are found to have best extraction efficiency consistent with tetraalkylammonium salts ([NR4]X). Key extraction interactions were
Rhys B Murphy et al.
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The deuterium kinetic isotope effect has been known for a period of 40 years, but it is only relatively recently that new drug entities (NDEs) incorporating deuterium demonstrating beneficial pharmacokinetics, pharmacodynamics, and toxicology have arrived to market. Determination of the
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Rapid communications in mass spectrometry : RCM, 34(24), e8950-e8950 (2020-09-19)
Produced water (PW) discharge from the oil and gas industry represents the largest intentional marine waste volume. Alkyl phenols (APs) are one of the main toxic component groups found in PW, with concentration of APs in discharged PW from the
Dominic A Colosimo et al.
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Despite evidence linking the human microbiome to health and disease, how the microbiota affects human physiology remains largely unknown. Microbiota-encoded metabolites are expected to play an integral role in human health. Therefore, assigning function to these metabolites is critical to
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