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Phenylacetone

Properties, data and information sources.

 

Contents

Phenylacetone is an organic chemical compound from the group of monosubstituted benzene derivatives and ketones. In many countries, this chemical requires a permit.

 

Names and Identifiers

Name
Phenylacetone
Formula
C9H10O
Molar mass
134.178 (g/mol)
CAS registry number
103-79-7
EC number EINECS
203-144-4
InChI Key
QCCDLTOVEPVEJK-UHFFFAOYSA-N

Systematic name
1-Phenylpropan-2-one

Other names, synonyms
Phenyl-2-propanone; Benzyl methyl ketone; Phenyl-2-propanone; 3-Phenyl-2-propanone; Phenylmethyl methyl ketone; 1-Phenylacetone; Phenylacetone; 1-Phenyl-2-propanone

 

Chemical formulas

Molecular formula and structural formula of Phenylacetone:

 

C9H10O

Mr = 134.178 g/mol

1-Phenylpropan-2-one
SMILES: CC(=O)CC1=CC=CC=C1

 

Data and Properties

In its pure form, phenylacetone is a colorless to pale yellow, oily liquid with a strong, characteristic odor.

solubility:
+ Soluble in alcohol, ether, benzene, xylene.
- Practically insoluble in water.
melting point
-15 °C
boiling point
216 °C
density
1.006 g cm-3 at 20 °C
refractive index
nD = 1.5165
magnetic susceptibility χ
-83.44 × 10-6 cm3 mol-1

 

Spectroscopic data:

SPLASH (mass spectra)
splash10-0006-9100000000-474d8233daf5ed7c2f2a
splash10-0006-9200000000-c0bdd6d0dc94032c721c
MoNA Mass Bank of North America (mass spectrum)
QCCDLTOVEPVEJK-UHFFFAOYSA-N
SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
BKybUuv7NRd
NIST IR-Spektrum
Phenylacetone

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Phenylacetone - C9H10O - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
9 Ar = 12.011 u
ΣAr = 108.099 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
 
12C: 79.7099 %
14C: trace
13C: 0.85398 %
80.5639 %H
Hydrogen
10 Ar = 1.008 u
ΣAr = 10.08 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 7.51166 %
2H: 0.00075 %
7.5124 %O
Oxygen
1ΣAr = 15.999 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 11.89474 %
17O: 0.00457 %
18O: 0.02444 %
11.9237 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 134.178 grams per mole.

The amount of substance in one kilogram of the substance is n = 7.453 mol.

The amount of substance in one gram of the substance is n = 0.007 mol.

Monoisotopic mass: 134.073164941 Da - related to 12C91H1016O.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Warning

GHS hazard statements (H phrases):


H319
Causes serious eye irritation

Labeling in the EU: See ECHA Substance Infocard 100.002.859.

For toxicology and occupational safety when handling Phenylacetone as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 492653.

 

External Sources

PubChem:ID 7678ChemSpider:ID 21106366Kegg database DBGET:ID C15512UNII of the FDA (USA):Unique Ingredient Identifier O7IZH10V9YEPA CompTox Chemicals Dashboard:DTXSID1059280Other CAS RN:136675-26-8; 823270-75-3 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Phenylacetone as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Phenylacetone.

 


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Last update: 2026-02-11


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