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176060

Sigma-Aldrich

Phenol-d6

99 atom % D

Synonym(s):

Hexadeuterophenol

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About This Item

Linear Formula:
C6D5OD
CAS Number:
13127-88-3
Molecular Weight:
100.15
Beilstein:
2255089
EC Number:
236-063-8
MDL number:
MFCD00002144
UNSPSC Code:
12352001
PubChem Substance ID:
24850548
NACRES:
NA.12

vapor density

3.24 (vs air)

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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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.

Signal Word

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

Target Organs

Nervous system,Kidney,Liver,Skin

Storage Class Code

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

WGK

WGK 2

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79.0 °C - closed cup

Certificates of Analysis (COA)

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Rhys B Murphy et al.
Analytica chimica acta, 1064, 65-70 (2019-04-16)
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
Adam H Turner et al.
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
Martin Oppegård et al.
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.
Cell host & microbe, 26(2), 273-282 (2019-08-06)
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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Journal of equine science, 25(4), 65-72 (2015-01-06)
The effects of probiotics on horses are still controversial. The present study was a randomized, double-blinded, placebo-controlled crossover study designed to evaluate the ability of probiotics to improve intestinal conditions in adult horses. Fermented probiotics were administered to 10 healthy

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