Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

490512

Sigma-Aldrich

Phenol-2,4,6-d3

≥98 atom % D, ≥99% (CP)

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
D3C6H2OH
CAS Number:
7329-50-2
Molecular Weight:
97.13
MDL number:
MFCD00084163
UNSPSC Code:
12352001
PubChem Substance ID:
24872570
NACRES:
NA.12

isotopic purity

≥98 atom % D

assay

≥99% (CP)

form

solid

bp

182 °C (lit.)

mp

40-42 °C (lit.)

density

1.105 g/mL at 25 °C

mass shift

M+3

SMILES string

[2H]c1cc([2H])c(O)c([2H])c1

InChI

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

InChI key

ISWSIDIOOBJBQZ-NHPOFCFZSA-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.

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - 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

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 °C - closed cup

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MBBC8950
EB0957
SZ0624
TV0005
11677DS

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Yehia Z Baghdady et al.
Analytica chimica acta, 1036, 195-203 (2018-09-27)
Metabolite profiling can be used as a diagnostic measure for both short and long term co-exposure by individuals to benzene, toluene, ethylbenzene and xylenes (BTEX). A novel one pot derivatization in situ kit (OPDISK) was developed and optimized using a

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service