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Isotope-labelled compounds

Mesitylene-d12

Also known as 1,3,5-Trimethylbenzene-d12, 1,3,5-trideuterio-2,4,6-tris(trideuteriomethyl)benzene, Mesitylene-d??

CAS 69441-16-3Formula C9H12Molar mass 132.27 g/molEC 693-098-5
GHS signal word: Warning. Pictograms: Flammable, Harmful or irritant 1 supplier listed
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Mesitylene-d12 chemical structure, C9H12, CAS 69441-16-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
69441-16-3
Formula
C9H12
Molar mass
132.27 g/mol
Physical form
Liquid
HS code
284590
Category
Isotope-labelled compounds
Illustrative photo, closed amber glass reagent bottles on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Mesitylene-d12?

Plain description, key identifiers and synonyms

Mesitylene-d12 is a chemical substance with the molecular formula C9H12 and a molar mass of 132.27 g/mol. Its CAS registry number is 69441-16-3. The IUPAC name is 1,3,5-trideuterio-2,4,6-tris(trideuteriomethyl)benzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3,5-trideuterio-2,4,6-tris(trideuteriomethyl)benzene
CAS number
69441-16-3 CAS number cross-checked
EC number
693-098-5
Molecular formula
C9H12
MDL number
MFCD00075579
InChIKey
AUHZEENZYGFFBQ-ZPMNDIOMSA-N
InChI
InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3/i1D3,2D3,3D3,4D,5D,6D
Canonical SMILES
Cc1cc(C)cc(C)c1
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])C([2H])([2H])[2H])[2H])C([2H])([2H])[2H]

Synonyms

  • 1,3,5-Trimethylbenzene-d12
  • 1,3,5-trideuterio-2,4,6-tris(trideuteriomethyl)benzene
  • Mesitylene-d??
  • tri(?H?)methyl(?H?)benzene
  • Mesitylene-d12, 98 atom % D
  • 1,3,5-Trimethylbenzene (d12, 98%)
  • 1,3,5-Tris[(~2~H_3_)methyl](~2~H_3_)benzene

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Liquidexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
132.27 g/molcalc.
Exact mass
132.1692 Dacalc.
LogP (octanol/water)
2.61calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H315Causes skin irritation.
  • H335May cause respiratory irritation.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (23)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Mesitylene-d12 suppliers

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Where suppliers are based

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Mesitylene-d12 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Mesitylene-d12 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Mesitylene-d12 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Mesitylene-d12, based on the data on this page

What is Mesitylene-d12?

Mesitylene-d12 is a chemical substance with the molecular formula C9H12 and a molar mass of 132.27 g/mol. Its CAS registry number is 69441-16-3. The IUPAC name is 1,3,5-trideuterio-2,4,6-tris(trideuteriomethyl)benzene.

What is the CAS number of Mesitylene-d12?

The CAS registry number of Mesitylene-d12 is 69441-16-3.

What is the molecular formula and weight of Mesitylene-d12?

The molecular formula of Mesitylene-d12 is C9H12 and its molar mass is 132.27 g/mol.

What is Mesitylene-d12 used for?

Known uses and roles of Mesitylene-d12 include isotope-labelled compounds in research and laboratory.

Is Mesitylene-d12 hazardous?

Mesitylene-d12 carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour, causes skin irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Mesitylene-d12?

Mesitylene-d12 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Mesitylene-d12?

CompoundList lists 1 supplier of Mesitylene-d12 in Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Mesitylene-d12?

Suppliers quote Mesitylene-d12 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Mesitylene-d12

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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