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Isotope-labelled compounds

Acetophenone-alpha,alpha,alpha-d3

Also known as Aceto-D3-phenone, acetophenone-d3, 2,2,2-trideuterio-1-phenylethanone

CAS 17537-31-4Formula C8H8OMolar mass 123.17 g/molEC 687-233-7
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant 2 suppliers listed
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Acetophenone-alpha,alpha,alpha-d3 chemical structure, C8H8O, CAS 17537-31-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
17537-31-4
Formula
C8H8O
Molar mass
123.17 g/mol
EC number
687-233-7
HS code
284590
Category
Isotope-labelled compounds

What is Acetophenone-alpha,alpha,alpha-d3?

Plain description, key identifiers and synonyms

Acetophenone-alpha,alpha,alpha-d3 is a chemical substance with the molecular formula C8H8O and a molar mass of 123.17 g/mol. Its CAS registry number is 17537-31-4. The IUPAC name is 2,2,2-trideuterio-1-phenylethanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,2,2-trideuterio-1-phenylethanone
CAS number
17537-31-4 CAS number cross-checked
EC number
687-233-7
Molecular formula
C8H8O
MDL number
MFCD00064445
InChIKey
KWOLFJPFCHCOCG-FIBGUPNXSA-N
InChI
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3
Canonical SMILES
CC(=O)c1ccccc1
Isomeric SMILES
[2H]C([2H])([2H])C(=O)C1=CC=CC=C1

Synonyms

  • Aceto-D3-phenone
  • acetophenone-d3
  • 2,2,2-trideuterio-1-phenylethanone
  • 2,2,2-trideuterio-1-phenyl-ethanone
  • (2,2,2,-2H3)acetophenone
  • Aceto-d3 phenone
  • trideuteroacetophenone
  • Acetophenone-methyl-d3
  • 1-phenyl(?H?)ethan-1-one
  • Acetophenone-|A,|A,|A-d?
  • 1-Phenyl(~2~H_3_)ethan-1-one
  • alpha,alpha,alpha-Trideuterio-acetophenone
  • Acetophenone-beta,beta,beta-d3, 99 atom % D

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
123.17 g/molcalc.
Exact mass
123.0763 Dacalc.
LogP (octanol/water)
1.89calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.13calc.
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
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H318Causes serious eye damage.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P330Rinse mouth.
  • 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

Acetophenone-alpha,alpha,alpha-d3 suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Acetophenone-alpha,alpha,alpha-d3 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 Acetophenone-alpha,alpha,alpha-d3 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 Acetophenone-alpha,alpha,alpha-d3 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetophenone-alpha,alpha,alpha-d3, based on the data on this page

What is Acetophenone-alpha,alpha,alpha-d3?

Acetophenone-alpha,alpha,alpha-d3 is a chemical substance with the molecular formula C8H8O and a molar mass of 123.17 g/mol. Its CAS registry number is 17537-31-4. The IUPAC name is 2,2,2-trideuterio-1-phenylethanone.

What is the CAS number of Acetophenone-alpha,alpha,alpha-d3?

The CAS registry number of Acetophenone-alpha,alpha,alpha-d3 is 17537-31-4.

What is the molecular formula and weight of Acetophenone-alpha,alpha,alpha-d3?

The molecular formula of Acetophenone-alpha,alpha,alpha-d3 is C8H8O and its molar mass is 123.17 g/mol.

What is Acetophenone-alpha,alpha,alpha-d3 used for?

Known uses and roles of Acetophenone-alpha,alpha,alpha-d3 include isotope-labelled compounds in research and laboratory.

Is Acetophenone-alpha,alpha,alpha-d3 hazardous?

Acetophenone-alpha,alpha,alpha-d3 carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes serious eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Acetophenone-alpha,alpha,alpha-d3?

Acetophenone-alpha,alpha,alpha-d3 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 Acetophenone-alpha,alpha,alpha-d3?

CompoundList lists 2 suppliers of Acetophenone-alpha,alpha,alpha-d3 in Germany and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Acetophenone-alpha,alpha,alpha-d3?

Suppliers quote Acetophenone-alpha,alpha,alpha-d3 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 Acetophenone-alpha,alpha,alpha-d3

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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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