Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

Safety Information

362999

Sigma-Aldrich

Benzyl-2,3,4,5,6-d5 alcohol

98 atom % D

Synonym(s):

(2,3,4,5,6-Pentadeuteriophenyl)methanol

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

About This Item

Linear Formula:
C6D5CH2OH
CAS Number:
68661-10-9
Molecular Weight:
113.17
MDL number:
MFCD00067256
UNSPSC Code:
12352001
PubChem Substance ID:
24862345
NACRES:
NA.12

isotopic purity

98 atom % D

Assay

99% (CP)

form

liquid

refractive index

n20/D 1.539 (lit.)

bp

203-205 °C (lit.)

mp

-16--13 °C (lit.)

density

1.094 g/mL at 25 °C

mass shift

M+5

SMILES string

[2H]c1c([2H])c([2H])c(CO)c([2H])c1[2H]

InChI

1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i1D,2D,3D,4D,5D

InChI key

WVDDGKGOMKODPV-RALIUCGRSA-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

Signal Word

Warning

Hazard Statements

H302 + H332,H319

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

204.8 °F - closed cup

Flash Point(C)

96 °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.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

362999-BULK:
362999-1G:
362999-VAR:
362999-250MG:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MBBD1874
SZ0998
IY0206
14212TW
09626PY

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

Amélie Slegers et al.
Molecules (Basel, Switzerland), 20(6), 10980-11016 (2015-06-18)
Developed from crosses between Vitis vinifera and North American Vitis species, interspecific hybrid grape varieties are becoming economically significant in northern areas, where they are now extensively grown for wine production. However, the varietal differences between interspecific hybrids are not

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