Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

Safety Information

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.

Signal Word

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 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 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

490512-VAR:
490512-250MG:4548173161990
490512-250MG-PW:
490512-BULK:

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