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Isotope-labelled compounds

Acetophenone-13C

Also known as 1-Phenyl(213C)ethanone, Acetophenone-alpha-13C, Acetophenone-methyl-13C

CAS 71777-36-1Formula C8H8OMolar mass 121.14 g/molEC 687-214-3
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant
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Acetophenone-13C chemical structure, C8H8O, CAS 71777-36-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71777-36-1
Formula
C8H8O
Molar mass
121.14 g/mol
EC number
687-214-3
HS code
284590
Category
Isotope-labelled compounds

What is Acetophenone-13C?

Plain description, key identifiers and synonyms

Acetophenone-13C is a chemical substance with the molecular formula C8H8O and a molar mass of 121.14 g/mol. Its CAS registry number is 71777-36-1. The IUPAC name is 1-phenyl(213C)ethanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-phenyl(213C)ethanone
CAS number
71777-36-1
EC number
687-214-3
Molecular formula
C8H8O
InChIKey
KWOLFJPFCHCOCG-OUBTZVSYSA-N
InChI
InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1+1
Canonical SMILES
CC(=O)c1ccccc1
Isomeric SMILES
[13CH3]C(=O)C1=CC=CC=C1

Synonyms

  • 1-Phenyl(213C)ethanone
  • Acetophenone-alpha-13C
  • Acetophenone-methyl-13C
  • Acetophenone-beta-13C, 99 atom % 13C

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
121.14 g/molcalc.
Exact mass
121.0609 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-13C suppliers

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Acetophenone-13C 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-13C 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-13C is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetophenone-13C, based on the data on this page

What is Acetophenone-13C?

Acetophenone-13C is a chemical substance with the molecular formula C8H8O and a molar mass of 121.14 g/mol. Its CAS registry number is 71777-36-1. The IUPAC name is 1-phenyl(213C)ethanone.

What is the CAS number of Acetophenone-13C?

The CAS registry number of Acetophenone-13C is 71777-36-1.

What is the molecular formula and weight of Acetophenone-13C?

The molecular formula of Acetophenone-13C is C8H8O and its molar mass is 121.14 g/mol.

What is Acetophenone-13C used for?

Known uses and roles of Acetophenone-13C include isotope-labelled compounds in research and laboratory.

Is Acetophenone-13C hazardous?

Acetophenone-13C 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-13C?

Acetophenone-13C 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-13C?

Post a free request on CompoundList and suppliers of Acetophenone-13C will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Acetophenone-13C?

Suppliers quote Acetophenone-13C 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-13C

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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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